[4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol

C25H29N5O4 — CID 147458828

IUPAC[4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol
SMILESCOc1cc2nc(C)nc(CCCNc3nc(C)nc4cc(CO)c(OC)cc34)c2cc1CO
InChIInChI=1S/C25H29N5O4/c1-14-27-20(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/h8-11,31-32H,5-7,12-13H2,1-4H3,(H,26,29,30)
InChIKeyDZNLTIRMHBPNQI-UHFFFAOYSA-N
MW463.54 g/mol
LogP3.24
Rot. Bonds9

About [4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol

[4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol (PubChem CID 147458828) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 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.

Molecular Properties

Compound Name[4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol
PubChem CID147458828
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name[4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol
SMILESCOc1cc2nc(C)nc(CCCNc3nc(C)nc4cc(CO)c(OC)cc34)c2cc1CO
InChIInChI=1S/C25H29N5O4/c1-14-27-20(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/h8-11,31-32H,5-7,12-13H2,1-4H3,(H,26,29,30)
InChIKeyDZNLTIRMHBPNQI-UHFFFAOYSA-N
XLogP3.24
TPSA122.51 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine
CID 146197360
[4-[2-[(6-methoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]methanol
CID 133434949
N-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide
CID 144858973
N-butyl-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22692586
2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol
CID 57342964
6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine
CID 177115997
6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine
CID 146197263
methyl 4-[[6,7-bis(hydroxymethyl)-2-methylquinazolin-4-yl]amino]-5-methylselenophene-2-carboxylate
CID 140618612
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 22692934
5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol
CID 46982338
6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid
CID 22693111

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?
The IUPAC name of [4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol (CID 147458828) is [4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol.
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?
The canonical SMILES for [4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol is COc1cc2nc(C)nc(CCCNc3nc(C)nc4cc(CO)c(OC)cc34)c2cc1CO.
What is the InChIKey of [4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol?
The InChIKey is DZNLTIRMHBPNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-14-27-20(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/h8-11,31-32H,5-7,12-13H2,1-4H3,(H,26,29,30).
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?
[4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol has a molecular weight of 463.54 g/mol, XLogP of 3.24, 9 rotatable bonds, 3 hydrogen bond donors, and 9 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 is sourced from PubChem (CID 147458828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).