2-N-(3-chloro-4-methylphenyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine

C26H30ClN5 — CID 160947555

IUPAC2-N-(3-chloro-4-methylphenyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
SMILESCC[C@@H](Nc1nc(Nc2ccc(C)c(Cl)c2)nc2c(C3=CCNCC3)cccc12)C1CC1
InChIInChI=1S/C26H30ClN5/c1-3-23(18-8-9-18)30-25-21-6-4-5-20(17-11-13-28-14-12-17)24(21)31-26(32-25)29-19-10-7-16(2)22(27)15-19/h4-7,10-11,15,18,23,28H,3,8-9,12-14H2,1-2H3,(H2,29,30,31,32)/t23-/m1/s1
InChIKeyVGDMIBPOTMKSQK-HSZRJFAPSA-N
MW448.01 g/mol
LogP6.31
Rot. Bonds7

About 2-N-(3-chloro-4-methylphenyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine

2-N-(3-chloro-4-methylphenyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine (PubChem CID 160947555) has the molecular formula C26H30ClN5 and a molecular weight of 448.01 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methylphenyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-methylphenyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
PubChem CID160947555
Molecular FormulaC26H30ClN5
Molecular Weight448.01 g/mol
Exact Mass447.22
IUPAC Name2-N-(3-chloro-4-methylphenyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
SMILESCC[C@@H](Nc1nc(Nc2ccc(C)c(Cl)c2)nc2c(C3=CCNCC3)cccc12)C1CC1
InChIInChI=1S/C26H30ClN5/c1-3-23(18-8-9-18)30-25-21-6-4-5-20(17-11-13-28-14-12-17)24(21)31-26(32-25)29-19-10-7-16(2)22(27)15-19/h4-7,10-11,15,18,23,28H,3,8-9,12-14H2,1-2H3,(H2,29,30,31,32)/t23-/m1/s1
InChIKeyVGDMIBPOTMKSQK-HSZRJFAPSA-N
XLogP6.31
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.01
LogP ≤ 56.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-N-(3-chloro-4-methylphenyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine 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

8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylpropyl]quinazoline-2,4-diamine;2-N-(3-chloro-4-methylphenyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-piperazin-1-ylquinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylbut-3-enyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(3,5-dimethylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine
CID 158263671
4-N-[(2R)-3,3-dimethylbutan-2-yl]-2-N-(3,5-dimethylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
CID 160517169
8-(azetidin-3-ylmethyl)-2-N-(3-chloro-4-fluorophenyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 142474284
4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine
CID 142474368
4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine
CID 164754253
4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
CID 161354853
N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine
CID 104721795
2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 56729090
2-N-(3-chloro-4-methylphenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 39861431
2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907475
2-N-(3-chloro-4-methylphenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963841
8-bromo-2-N-(3-chloro-4-fluorophenyl)-4-N-[(2R)-3,3-dimethylbutan-2-yl]quinazoline-2,4-diamine
CID 135382419

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methylphenyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-4-methylphenyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine (CID 160947555) is 2-N-(3-chloro-4-methylphenyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-methylphenyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-4-methylphenyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine is CC[C@@H](Nc1nc(Nc2ccc(C)c(Cl)c2)nc2c(C3=CCNCC3)cccc12)C1CC1.
What is the InChIKey of 2-N-(3-chloro-4-methylphenyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine?
The InChIKey is VGDMIBPOTMKSQK-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H30ClN5/c1-3-23(18-8-9-18)30-25-21-6-4-5-20(17-11-13-28-14-12-17)24(21)31-26(32-25)29-19-10-7-16(2)22(27)15-19/h4-7,10-11,15,18,23,28H,3,8-9,12-14H2,1-2H3,(H2,29,30,31,32)/t23-/m1/s1.
What are the key properties of 2-N-(3-chloro-4-methylphenyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine?
2-N-(3-chloro-4-methylphenyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine has a molecular weight of 448.01 g/mol, XLogP of 6.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methylphenyl)-4-N-[(1R)-1-cyclopropylpropyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 160947555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).