2-(azepan-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxyquinazolin-4-amine

C21H26N6O — CID 134816472

IUPAC2-(azepan-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxyquinazolin-4-amine
SMILESCOc1ccc2nc(N3CCCCCC3)nc(Nc3cc(C4CC4)[nH]n3)c2c1
InChIInChI=1S/C21H26N6O/c1-28-15-8-9-17-16(12-15)20(23-19-13-18(25-26-19)14-6-7-14)24-21(22-17)27-10-4-2-3-5-11-27/h8-9,12-14H,2-7,10-11H2,1H3,(H2,22,23,24,25,26)
InChIKeyJIGBBJLFUUUTRT-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.36
Rot. Bonds5

About 2-(azepan-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxyquinazolin-4-amine

2-(azepan-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxyquinazolin-4-amine (PubChem CID 134816472) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxyquinazolin-4-amine
PubChem CID134816472
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-(azepan-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxyquinazolin-4-amine
SMILESCOc1ccc2nc(N3CCCCCC3)nc(Nc3cc(C4CC4)[nH]n3)c2c1
InChIInChI=1S/C21H26N6O/c1-28-15-8-9-17-16(12-15)20(23-19-13-18(25-26-19)14-6-7-14)24-21(22-17)27-10-4-2-3-5-11-27/h8-9,12-14H,2-7,10-11H2,1H3,(H2,22,23,24,25,26)
InChIKeyJIGBBJLFUUUTRT-UHFFFAOYSA-N
XLogP4.36
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 46239428
CID 46239428
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 24948938
N-[6-methoxy-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-3-methylbutanamide
CID 1398674
N-[6-methoxy-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-2,2-dimethylpropanamide
CID 1409797
N-(6-methoxy-1-propylpyrazolo[3,4-b]quinolin-3-yl)-2-methylpropanamide
CID 1414939
N-(4-methoxyphenyl)-4-(pyrrolidin-1-yl)quinazolin-2-amine hydrochloride
CID 6602960
6-Methoxy-3,8-Dimethyl-4-(Piperazin-1-Yl)-1h-Pyrazolo[3,4-B]quinoline
CID 46239840
1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-amine
CID 46239329
6-methoxy-3,8-dimethyl-N-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
CID 57390415
[1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-yl]methanamine
CID 57393964
4-[[6-(2-methoxyethoxy)-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl]methyl]-1,4-oxazepane
CID 57394695
4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
CID 57403377

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxyquinazolin-4-amine?
The IUPAC name of 2-(azepan-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxyquinazolin-4-amine (CID 134816472) is 2-(azepan-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxyquinazolin-4-amine.
What is the SMILES notation for 2-(azepan-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxyquinazolin-4-amine?
The canonical SMILES for 2-(azepan-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxyquinazolin-4-amine is COc1ccc2nc(N3CCCCCC3)nc(Nc3cc(C4CC4)[nH]n3)c2c1.
What is the InChIKey of 2-(azepan-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxyquinazolin-4-amine?
The InChIKey is JIGBBJLFUUUTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-28-15-8-9-17-16(12-15)20(23-19-13-18(25-26-19)14-6-7-14)24-21(22-17)27-10-4-2-3-5-11-27/h8-9,12-14H,2-7,10-11H2,1H3,(H2,22,23,24,25,26).
What are the key properties of 2-(azepan-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxyquinazolin-4-amine?
2-(azepan-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxyquinazolin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 134816472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).