[(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid

C19H17ClN4O3 — CID 141422285

IUPAC[(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid
SMILESO=C(O)N[C@@H](CC1CC1)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1
InChIInChI=1S/C19H17ClN4O3/c20-13-4-1-5-14-16(13)18(25)24(12-3-2-8-21-10-12)17(22-14)15(23-19(26)27)9-11-6-7-11/h1-5,8,10-11,15,23H,6-7,9H2,(H,26,27)/t15-/m0/s1
InChIKeyLKHJLYBQZXCLSZ-HNNXBMFYSA-N
MW384.82 g/mol
LogP3.54
Rot. Bonds5

About [(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid

[(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid (PubChem CID 141422285) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is [(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid
PubChem CID141422285
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name[(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid
SMILESO=C(O)N[C@@H](CC1CC1)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1
InChIInChI=1S/C19H17ClN4O3/c20-13-4-1-5-14-16(13)18(25)24(12-3-2-8-21-10-12)17(22-14)15(23-19(26)27)9-11-6-7-11/h1-5,8,10-11,15,23H,6-7,9H2,(H,26,27)/t15-/m0/s1
InChIKeyLKHJLYBQZXCLSZ-HNNXBMFYSA-N
XLogP3.54
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid with MolForge

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Related Compounds

[(1S)-1-(5-chloro-8-fluoro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid
CID 141422325
5-chloro-2-[(1R)-1-hydroxyethyl]-3-pyridin-3-ylquinazolin-4-one
CID 155453969
5-chloro-2-(1-hydroxyethyl)-3-pyridin-3-ylquinazolin-4-one
CID 155453997
[1-[5-chloro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]-3-methylbutyl]carbamic acid
CID 90235469
[(1S)-1-[3-(5-amino-3-pyridinyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]carbamic acid
CID 141422293
1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propylcarbamic acid
CID 118576305
2,4-diamino-6-[[(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-3-methylbutyl]amino]pyrimidine-5-carbonitrile
CID 86762967
3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide
CID 118571580
[[5-chloro-3-(3-cyanopropyl)-4-oxoquinazolin-2-yl]-cyclopropylmethyl]carbamic acid
CID 118574010
1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90233105
1-[5-chloro-3-[3-(3-hydroxypropylcarbamoylamino)phenyl]-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 139556655
2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
CID 155191424

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid?
The IUPAC name of [(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid (CID 141422285) is [(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid.
What is the SMILES notation for [(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid?
The canonical SMILES for [(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid is O=C(O)N[C@@H](CC1CC1)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1.
What is the InChIKey of [(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid?
The InChIKey is LKHJLYBQZXCLSZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c20-13-4-1-5-14-16(13)18(25)24(12-3-2-8-21-10-12)17(22-14)15(23-19(26)27)9-11-6-7-11/h1-5,8,10-11,15,23H,6-7,9H2,(H,26,27)/t15-/m0/s1.
What are the key properties of [(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid?
[(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid has a molecular weight of 384.82 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid is sourced from PubChem (CID 141422285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).