2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-quinolin-7-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile

C24H17ClN8O — CID 118493848

IUPAC2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-quinolin-7-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@@H](Nc1nc(N)ncc1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc2cccnc2c1
InChIInChI=1S/C24H17ClN8O/c1-13(30-21-15(11-26)12-29-24(27)32-21)22-31-18-6-2-5-17(25)20(18)23(34)33(22)16-8-7-14-4-3-9-28-19(14)10-16/h2-10,12-13H,1H3,(H3,27,29,30,32)/t13-/m1/s1
InChIKeyJNADHMIZXCWRQX-CYBMUJFWSA-N
MW468.91 g/mol
LogP4.00
Rot. Bonds4

About 2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-quinolin-7-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile

2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-quinolin-7-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile (PubChem CID 118493848) has the molecular formula C24H17ClN8O and a molecular weight of 468.91 g/mol. Its IUPAC name is 2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-quinolin-7-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-quinolin-7-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
PubChem CID118493848
Molecular FormulaC24H17ClN8O
Molecular Weight468.91 g/mol
Exact Mass468.12
IUPAC Name2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-quinolin-7-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@@H](Nc1nc(N)ncc1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc2cccnc2c1
InChIInChI=1S/C24H17ClN8O/c1-13(30-21-15(11-26)12-29-24(27)32-21)22-31-18-6-2-5-17(25)20(18)23(34)33(22)16-8-7-14-4-3-9-28-19(14)10-16/h2-10,12-13H,1H3,(H3,27,29,30,32)/t13-/m1/s1
InChIKeyJNADHMIZXCWRQX-CYBMUJFWSA-N
XLogP4.00
TPSA135.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.91
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-quinolin-7-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile 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

2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 118494006
2-amino-4-[1-[5-(4-chlorophenyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118493967
2-amino-4-[1-[8-chloro-2-(4-cyanophenyl)-1-oxoisoquinolin-3-yl]ethylamino]pyrimidine-5-carbonitrile
CID 78047137
2-amino-4-[1-[3-(3-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118493957
2-amino-4-[1-(4-oxo-3-phenyl-5-pyridazin-4-ylquinazolin-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 71269931
2-amino-4-[1-[5-(6-methoxy-2-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 78051475
2-amino-4-[[(1S)-1-(4-oxo-3-phenyl-5-pyridazin-4-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 71269930
2,4-diamino-6-[[(1S)-1-[5-chloro-3-[3-(difluoromethyl)phenyl]-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 90234935
2-amino-4-[[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 71291792
2-amino-4-[1-[8-chloro-2-(1,2-oxazol-3-yl)-1-oxoisoquinolin-3-yl]ethylamino]pyrimidine-5-carbonitrile
CID 78047145
2-amino-4-[1-[5-(5-methoxypyrimidin-2-yl)-4-oxo-3-phenylquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118494025
2-amino-4-[[(1S)-1-[5-(2-ethylpyrimidin-5-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 71274094

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-quinolin-7-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-quinolin-7-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile (CID 118493848) is 2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-quinolin-7-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-quinolin-7-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-quinolin-7-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile is C[C@@H](Nc1nc(N)ncc1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc2cccnc2c1.
What is the InChIKey of 2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-quinolin-7-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The InChIKey is JNADHMIZXCWRQX-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H17ClN8O/c1-13(30-21-15(11-26)12-29-24(27)32-21)22-31-18-6-2-5-17(25)20(18)23(34)33(22)16-8-7-14-4-3-9-28-19(14)10-16/h2-10,12-13H,1H3,(H3,27,29,30,32)/t13-/m1/s1.
What are the key properties of 2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-quinolin-7-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile?
2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-quinolin-7-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 468.91 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-quinolin-7-ylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 118493848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).