2-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-N-ethyl-6-methyl-7-N-[(2-methylcyclopentyl)methyl]quinazoline-2,7-diamine

C24H31ClN6 — CID 162748159

IUPAC2-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-N-ethyl-6-methyl-7-N-[(2-methylcyclopentyl)methyl]quinazoline-2,7-diamine
SMILESCCN(CC1CCCC1C)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1C
InChIInChI=1S/C24H31ClN6/c1-4-30(14-17-7-5-6-15(17)2)22-11-20-18(10-16(22)3)12-26-24(28-20)29-21-13-27-31(23(21)25)19-8-9-19/h10-13,15,17,19H,4-9,14H2,1-3H3,(H,26,28,29)
InChIKeyDAGCMKZTXMIPOF-UHFFFAOYSA-N
MW439.01 g/mol
LogP6.13
Rot. Bonds7

About 2-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-N-ethyl-6-methyl-7-N-[(2-methylcyclopentyl)methyl]quinazoline-2,7-diamine

2-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-N-ethyl-6-methyl-7-N-[(2-methylcyclopentyl)methyl]quinazoline-2,7-diamine (PubChem CID 162748159) has the molecular formula C24H31ClN6 and a molecular weight of 439.01 g/mol. Its IUPAC name is 2-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-N-ethyl-6-methyl-7-N-[(2-methylcyclopentyl)methyl]quinazoline-2,7-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-N-ethyl-6-methyl-7-N-[(2-methylcyclopentyl)methyl]quinazoline-2,7-diamine
PubChem CID162748159
Molecular FormulaC24H31ClN6
Molecular Weight439.01 g/mol
Exact Mass438.23
IUPAC Name2-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-N-ethyl-6-methyl-7-N-[(2-methylcyclopentyl)methyl]quinazoline-2,7-diamine
SMILESCCN(CC1CCCC1C)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1C
InChIInChI=1S/C24H31ClN6/c1-4-30(14-17-7-5-6-15(17)2)22-11-20-18(10-16(22)3)12-26-24(28-20)29-21-13-27-31(23(21)25)19-8-9-19/h10-13,15,17,19H,4-9,14H2,1-3H3,(H,26,28,29)
InChIKeyDAGCMKZTXMIPOF-UHFFFAOYSA-N
XLogP6.13
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.01
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-N-ethyl-6-methyl-7-N-[(2-methylcyclopentyl)methyl]quinazoline-2,7-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

N-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine
CID 175796418
1-[4-[6-chloro-2-[(5-chloro-1-cyclopropylpyrazol-4-yl)amino]quinazolin-7-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 162748253
tert-butyl 4-[6-chloro-2-[(5-chloro-1-cyclopropylpyrazol-4-yl)amino]quinazolin-7-yl]piperazine-1-carboxylate
CID 162747982
6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[(3R,4R)-1-(1,1-dioxothietan-3-yl)-3-fluoropiperidin-4-yl]quinazolin-2-amine
CID 167326753
N-(1-ethyl-5-methylpyrazol-4-yl)-6,7-dimethylquinazolin-2-amine
CID 156730609
(3S,4S)-4-[4-[6-chloro-2-[(5-chloro-1-cyclopropylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 156730834
N-[5-chloro-1-(2,2-difluorocyclopropyl)pyrazol-4-yl]-7-[3-fluoro-1-(oxolan-3-yl)piperidin-4-yl]-6-methylquinazolin-2-amine
CID 156730569
N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine
CID 175881515
N-[5-chloro-1-(2,2-difluorocyclopropyl)pyrazol-4-yl]-7-[3-fluoro-1-(3-methyloxolan-3-yl)piperidin-4-yl]-6-methylquinazolin-2-amine
CID 156730699
(1S)-2-[4-[6-chloro-2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]-1-(3,5-difluorophenyl)ethanol
CID 167326540
(3S,4S)-4-[4-[6-chloro-2-[(5-chloro-1-cyclopropylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]piperazin-1-yl]oxolan-3-ol
CID 175712666
4-[4-[2-[[5-chloro-1-(2,2-difluorocyclopropyl)pyrazol-4-yl]amino]-6-methylquinazolin-7-yl]piperazin-1-yl]-4-methyloxolan-3-ol
CID 162747777

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-N-ethyl-6-methyl-7-N-[(2-methylcyclopentyl)methyl]quinazoline-2,7-diamine?
The IUPAC name of 2-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-N-ethyl-6-methyl-7-N-[(2-methylcyclopentyl)methyl]quinazoline-2,7-diamine (CID 162748159) is 2-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-N-ethyl-6-methyl-7-N-[(2-methylcyclopentyl)methyl]quinazoline-2,7-diamine.
What is the SMILES notation for 2-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-N-ethyl-6-methyl-7-N-[(2-methylcyclopentyl)methyl]quinazoline-2,7-diamine?
The canonical SMILES for 2-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-N-ethyl-6-methyl-7-N-[(2-methylcyclopentyl)methyl]quinazoline-2,7-diamine is CCN(CC1CCCC1C)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1C.
What is the InChIKey of 2-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-N-ethyl-6-methyl-7-N-[(2-methylcyclopentyl)methyl]quinazoline-2,7-diamine?
The InChIKey is DAGCMKZTXMIPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6/c1-4-30(14-17-7-5-6-15(17)2)22-11-20-18(10-16(22)3)12-26-24(28-20)29-21-13-27-31(23(21)25)19-8-9-19/h10-13,15,17,19H,4-9,14H2,1-3H3,(H,26,28,29).
What are the key properties of 2-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-N-ethyl-6-methyl-7-N-[(2-methylcyclopentyl)methyl]quinazoline-2,7-diamine?
2-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-N-ethyl-6-methyl-7-N-[(2-methylcyclopentyl)methyl]quinazoline-2,7-diamine has a molecular weight of 439.01 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-N-ethyl-6-methyl-7-N-[(2-methylcyclopentyl)methyl]quinazoline-2,7-diamine is sourced from PubChem (CID 162748159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).