[4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol;2-methyl-4-[[3-[(2-methylquinazolin-4-yl)methyl]phenyl]methyl]quinazoline;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;1,4-xylene

C65H73N15O4 — CID 158037132

IUPAC[4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol;2-methyl-4-[[3-[(2-methylquinazolin-4-yl)methyl]phenyl]methyl]quinazoline;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;1,4-xylene
SMILESCNc1nc(NC)nc(NC)n1.COc1cc2nc(C)nc(CCCNc3nc(C)nc4cc(CO)c(OC)cc34)c2cc1CO.Cc1ccc(C)cc1.Cc1nc(Cc2cccc(Cc3nc(C)nc4ccccc34)c2)c2ccccc2n1
InChIInChI=1S/C26H22N4.C25H29N5O4.C8H10.C6H12N6/c1-17-27-23-12-5-3-10-21(23)25(29-17)15-19-8-7-9-20(14-19)16-26-22-11-4-6-13-24(22)28-18(2)30-26;1-14-27-20(18-8-16(12-31)24(34-4)11-22(18)28-14)6-5-7-26-25-19-10-23(33-3)17(13-32)9-21(19)29-15(2)30-25;1-7-3-5-8(2)6-4-7;1-7-4-10-5(8-2)12-6(9-3)11-4/h3-14H,15-16H2,1-2H3;8-11,31-32H,5-7,12-13H2,1-4H3,(H,26,29,30);3-6H,1-2H3;1-3H3,(H3,7,8,9,10,11,12)
InChIKeyFHWUMWPCAWMILP-UHFFFAOYSA-N
MW1128.40 g/mol
LogP10.91
Rot. Bonds16

About [4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol;2-methyl-4-[[3-[(2-methylquinazolin-4-yl)methyl]phenyl]methyl]quinazoline;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;1,4-xylene

[4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol;2-methyl-4-[[3-[(2-methylquinazolin-4-yl)methyl]phenyl]methyl]quinazoline;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;1,4-xylene (PubChem CID 158037132) has the molecular formula C65H73N15O4 and a molecular weight of 1128.40 g/mol. Its IUPAC name is [4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol;2-methyl-4-[[3-[(2-methylquinazolin-4-yl)methyl]phenyl]methyl]quinazoline;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;1,4-xylene.

Molecular Properties

Compound Name[4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol;2-methyl-4-[[3-[(2-methylquinazolin-4-yl)methyl]phenyl]methyl]quinazoline;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;1,4-xylene
PubChem CID158037132
Molecular FormulaC65H73N15O4
Molecular Weight1128.40 g/mol
Exact Mass1127.60
IUPAC Name[4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol;2-methyl-4-[[3-[(2-methylquinazolin-4-yl)methyl]phenyl]methyl]quinazoline;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;1,4-xylene
SMILESCNc1nc(NC)nc(NC)n1.COc1cc2nc(C)nc(CCCNc3nc(C)nc4cc(CO)c(OC)cc34)c2cc1CO.Cc1ccc(C)cc1.Cc1nc(Cc2cccc(Cc3nc(C)nc4ccccc34)c2)c2ccccc2n1
InChIInChI=1S/C26H22N4.C25H29N5O4.C8H10.C6H12N6/c1-17-27-23-12-5-3-10-21(23)25(29-17)15-19-8-7-9-20(14-19)16-26-22-11-4-6-13-24(22)28-18(2)30-26;1-14-27-20(18-8-16(12-31)24(34-4)11-22(18)28-14)6-5-7-26-25-19-10-23(33-3)17(13-32)9-21(19)29-15(2)30-25;1-7-3-5-8(2)6-4-7;1-7-4-10-5(8-2)12-6(9-3)11-4/h3-14H,15-16H2,1-2H3;8-11,31-32H,5-7,12-13H2,1-4H3,(H,26,29,30);3-6H,1-2H3;1-3H3,(H3,7,8,9,10,11,12)
InChIKeyFHWUMWPCAWMILP-UHFFFAOYSA-N
XLogP10.91
TPSA248.83 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001128.40
LogP ≤ 510.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol;2-methyl-4-[[3-[(2-methylquinazolin-4-yl)methyl]phenyl]methyl]quinazoline;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;1,4-xylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-2-[3-[(1R)-1-[[7-methoxy-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-yl]amino]ethyl]phenyl]ethanol
CID 153283583
4-[7-methoxy-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]quinazolin-6-yl]piperidin-4-ol
CID 156492225
5-(1-Adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine
CID 159893403
4-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-4-ol
CID 159905105
1-[4-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]cyclohexane-1,4-diol
CID 160357258
4-[4-[[(1R)-1-[3-amino-5-(1,1-difluoro-2-methoxyethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxan-4-ol
CID 167259480
4-[4-[[3-Amino-5-(1,1-difluoro-2-methoxyethyl)phenyl]methylamino]-7-methoxy-2-methylquinazolin-6-yl]oxan-4-ol
CID 167259484
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]cyclohexyl]-7-methoxy-2-methylquinazolin-4-amine
CID 175810146
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-[4-[4-(3-azaspiro[5.5]undecan-9-ylmethyl)piperidin-1-yl]cyclohexyl]-7-methoxy-2-methylquinazolin-4-amine
CID 175810407
4-{[1-(7-Methoxy-4-methyl-2-quinazolinyl)-4-piperidinyl]amino}-1-adamantanol
CID 45244786
4-[6-(hydroxymethyl)-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10231393
3-[2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-1-hydroxyethyl]phenol
CID 16735124

Frequently Asked Questions

What is the IUPAC name of [4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol;2-methyl-4-[[3-[(2-methylquinazolin-4-yl)methyl]phenyl]methyl]quinazoline;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;1,4-xylene?
The IUPAC name of [4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol;2-methyl-4-[[3-[(2-methylquinazolin-4-yl)methyl]phenyl]methyl]quinazoline;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;1,4-xylene (CID 158037132) is [4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol;2-methyl-4-[[3-[(2-methylquinazolin-4-yl)methyl]phenyl]methyl]quinazoline;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;1,4-xylene.
What is the SMILES notation for [4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol;2-methyl-4-[[3-[(2-methylquinazolin-4-yl)methyl]phenyl]methyl]quinazoline;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;1,4-xylene?
The canonical SMILES for [4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol;2-methyl-4-[[3-[(2-methylquinazolin-4-yl)methyl]phenyl]methyl]quinazoline;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;1,4-xylene is CNc1nc(NC)nc(NC)n1.COc1cc2nc(C)nc(CCCNc3nc(C)nc4cc(CO)c(OC)cc34)c2cc1CO.Cc1ccc(C)cc1.Cc1nc(Cc2cccc(Cc3nc(C)nc4ccccc34)c2)c2ccccc2n1.
What is the InChIKey of [4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol;2-methyl-4-[[3-[(2-methylquinazolin-4-yl)methyl]phenyl]methyl]quinazoline;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;1,4-xylene?
The InChIKey is FHWUMWPCAWMILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4.C25H29N5O4.C8H10.C6H12N6/c1-17-27-23-12-5-3-10-21(23)25(29-17)15-19-8-7-9-20(14-19)16-26-22-11-4-6-13-24(22)28-18(2)30-26;1-14-27-20(18-8-16(12-31)24(34-4)11-22(18)28-14)6-5-7-26-25-19-10-23(33-3)17(13-32)9-21(19)29-15(2)30-25;1-7-3-5-8(2)6-4-7;1-7-4-10-5(8-2)12-6(9-3)11-4/h3-14H,15-16H2,1-2H3;8-11,31-32H,5-7,12-13H2,1-4H3,(H,26,29,30);3-6H,1-2H3;1-3H3,(H3,7,8,9,10,11,12).
What are the key properties of [4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol;2-methyl-4-[[3-[(2-methylquinazolin-4-yl)methyl]phenyl]methyl]quinazoline;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;1,4-xylene?
[4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol;2-methyl-4-[[3-[(2-methylquinazolin-4-yl)methyl]phenyl]methyl]quinazoline;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;1,4-xylene has a molecular weight of 1128.40 g/mol, XLogP of 10.91, 16 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol;2-methyl-4-[[3-[(2-methylquinazolin-4-yl)methyl]phenyl]methyl]quinazoline;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;1,4-xylene is sourced from PubChem (CID 158037132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).