2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol

C24H32N4O3 — CID 175935294

IUPAC2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol
SMILESCCCCC(C)(CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2ccccc12
InChIInChI=1S/C24H32N4O3/c1-5-6-13-24(2,16-29)28-22-19-9-7-8-10-20(19)26-23(27-22)25-15-17-11-12-18(30-3)14-21(17)31-4/h7-12,14,29H,5-6,13,15-16H2,1-4H3,(H2,25,26,27,28)
InChIKeyGKQRCXZDIHELSO-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.61
Rot. Bonds11

About 2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol

2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol (PubChem CID 175935294) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol
PubChem CID175935294
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol
SMILESCCCCC(C)(CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2ccccc12
InChIInChI=1S/C24H32N4O3/c1-5-6-13-24(2,16-29)28-22-19-9-7-8-10-20(19)26-23(27-22)25-15-17-11-12-18(30-3)14-21(17)31-4/h7-12,14,29H,5-6,13,15-16H2,1-4H3,(H2,25,26,27,28)
InChIKeyGKQRCXZDIHELSO-UHFFFAOYSA-N
XLogP4.61
TPSA88.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol with MolForge

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Related Compounds

(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 158486047
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one
CID 157383740
tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-4-methyloctanoate
CID 163945113
N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide
CID 134305708
[4-[(1-acetamido-2-methylhexan-2-yl)amino]quinazolin-2-yl]-[(2,4-dimethoxyphenyl)methyl]-methyliodanuidylazanium
CID 163905770
2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
CID 146293388
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 87481246
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-propan-2-ylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 162257149
4-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidine-2,4-diamine
CID 175885835
5-[[but-3-enyl(methyl)amino]methyl]-4-[2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-1H-pyridin-2-one
CID 169098873
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-(1-methylpyrrole-2-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 167632181
3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride
CID 52995704

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol?
The IUPAC name of 2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol (CID 175935294) is 2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol.
What is the SMILES notation for 2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol?
The canonical SMILES for 2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol is CCCCC(C)(CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2ccccc12.
What is the InChIKey of 2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol?
The InChIKey is GKQRCXZDIHELSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-5-6-13-24(2,16-29)28-22-19-9-7-8-10-20(19)26-23(27-22)25-15-17-11-12-18(30-3)14-21(17)31-4/h7-12,14,29H,5-6,13,15-16H2,1-4H3,(H2,25,26,27,28).
What are the key properties of 2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol?
2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol has a molecular weight of 424.55 g/mol, XLogP of 4.61, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol is sourced from PubChem (CID 175935294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).