3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol

C26H35N5O3 — CID 70995703

IUPAC3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol
SMILESCOc1ccc(CNCC2CCC(Nc3nc(N(C)C)c4ccccc4n3)CC2)c(OC)c1O
InChIInChI=1S/C26H35N5O3/c1-31(2)25-20-7-5-6-8-21(20)29-26(30-25)28-19-12-9-17(10-13-19)15-27-16-18-11-14-22(33-3)23(32)24(18)34-4/h5-8,11,14,17,19,27,32H,9-10,12-13,15-16H2,1-4H3,(H,28,29,30)
InChIKeyCNSWPPUNRHCZPS-UHFFFAOYSA-N
MW465.60 g/mol
LogP4.18
Rot. Bonds9

About 3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol

3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol (PubChem CID 70995703) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol
PubChem CID70995703
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol
SMILESCOc1ccc(CNCC2CCC(Nc3nc(N(C)C)c4ccccc4n3)CC2)c(OC)c1O
InChIInChI=1S/C26H35N5O3/c1-31(2)25-20-7-5-6-8-21(20)29-26(30-25)28-19-12-9-17(10-13-19)15-27-16-18-11-14-22(33-3)23(32)24(18)34-4/h5-8,11,14,17,19,27,32H,9-10,12-13,15-16H2,1-4H3,(H,28,29,30)
InChIKeyCNSWPPUNRHCZPS-UHFFFAOYSA-N
XLogP4.18
TPSA91.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol with MolForge

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Launch Full Analysis

Related Compounds

2-N-[4-[[(2-fluoro-4,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine;methane
CID 159357773
2-N-[4-[(1H-indol-3-ylmethylamino)methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine;methane
CID 157372553
2-N-[4-[[(2-fluoro-5-methoxyphenyl)methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine;methane
CID 160651399
2-N-[4-[[(4-aminophenyl)methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 89376599
4-N,4-N-dimethyl-2-N-[4-[[(4-phenoxyphenyl)methylamino]methyl]cyclohexyl]quinazoline-2,4-diamine;methane
CID 157442287
4-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2-methylphenol;methane
CID 161424485
2-N-[4-[(furan-3-ylmethylamino)methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine;methane
CID 161444301
2-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-4-(trifluoromethoxy)phenol;methane
CID 157173583
4-N,4-N-dimethyl-2-N-[4-[[(2,4,6-triethoxyphenyl)methylamino]methyl]cyclohexyl]quinazoline-2,4-diamine
CID 70995700
4-N,4-N-dimethyl-2-N-[4-[[(2,3,5,6-tetrafluorophenyl)methylamino]methyl]cyclohexyl]quinazoline-2,4-diamine;molecular hydrogen
CID 142229564
2-N-[4-[[(5-bromo-2-ethoxy-3-methylphenyl)methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 142229936
1-(5-chloro-2-methoxyphenyl)-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]thiourea
CID 87612279

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol (CID 70995703) is 3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol is COc1ccc(CNCC2CCC(Nc3nc(N(C)C)c4ccccc4n3)CC2)c(OC)c1O.
What is the InChIKey of 3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol?
The InChIKey is CNSWPPUNRHCZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-31(2)25-20-7-5-6-8-21(20)29-26(30-25)28-19-12-9-17(10-13-19)15-27-16-18-11-14-22(33-3)23(32)24(18)34-4/h5-8,11,14,17,19,27,32H,9-10,12-13,15-16H2,1-4H3,(H,28,29,30).
What are the key properties of 3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol?
3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol has a molecular weight of 465.60 g/mol, XLogP of 4.18, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 70995703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).