1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propylcarbamic acid

C15H14ClN5O3 — CID 118576305

IUPAC1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propylcarbamic acid
SMILESCCC(NC(=O)O)c1nc2cccc(Cl)c2c(=O)n1-c1ccn[nH]1
InChIInChI=1S/C15H14ClN5O3/c1-2-9(19-15(23)24)13-18-10-5-3-4-8(16)12(10)14(22)21(13)11-6-7-17-20-11/h3-7,9,19H,2H2,1H3,(H,17,20)(H,23,24)
InChIKeyGQBZWNTWLVDNFX-UHFFFAOYSA-N
MW347.76 g/mol
LogP2.48
Rot. Bonds4

About 1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propylcarbamic acid

1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propylcarbamic acid (PubChem CID 118576305) has the molecular formula C15H14ClN5O3 and a molecular weight of 347.76 g/mol. Its IUPAC name is 1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propylcarbamic acid.

Molecular Properties

Compound Name1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propylcarbamic acid
PubChem CID118576305
Molecular FormulaC15H14ClN5O3
Molecular Weight347.76 g/mol
Exact Mass347.08
IUPAC Name1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propylcarbamic acid
SMILESCCC(NC(=O)O)c1nc2cccc(Cl)c2c(=O)n1-c1ccn[nH]1
InChIInChI=1S/C15H14ClN5O3/c1-2-9(19-15(23)24)13-18-10-5-3-4-8(16)12(10)14(22)21(13)11-6-7-17-20-11/h3-7,9,19H,2H2,1H3,(H,17,20)(H,23,24)
InChIKeyGQBZWNTWLVDNFX-UHFFFAOYSA-N
XLogP2.48
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1S)-1-aminopropyl]-5-chloro-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 118575431
1-[5-chloro-3-[5-(3-methoxypropyl)-1H-pyrazol-3-yl]-4-oxoquinazolin-2-yl]propylcarbamic acid
CID 118576083
2-[(1S)-1-aminopropyl]-5-bromo-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 118576029
[1-[5-chloro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]-3-methylbutyl]carbamic acid
CID 90235469
1-[8-chloro-5-(difluoromethyl)-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]ethylcarbamic acid
CID 118576122
[(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid
CID 141422285
5-chloro-2-[1-(furo[3,2-d]pyrimidin-4-ylamino)ethyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 118575545
4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118575555
1-[5,8-difluoro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]ethylcarbamic acid
CID 118576203
2,4-diamino-6-[[(1S)-1-[5-bromo-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile
CID 118575874
1-[5-chloro-3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90234958
1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90233105

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propylcarbamic acid?
The IUPAC name of 1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propylcarbamic acid (CID 118576305) is 1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propylcarbamic acid.
What is the SMILES notation for 1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propylcarbamic acid?
The canonical SMILES for 1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propylcarbamic acid is CCC(NC(=O)O)c1nc2cccc(Cl)c2c(=O)n1-c1ccn[nH]1.
What is the InChIKey of 1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propylcarbamic acid?
The InChIKey is GQBZWNTWLVDNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O3/c1-2-9(19-15(23)24)13-18-10-5-3-4-8(16)12(10)14(22)21(13)11-6-7-17-20-11/h3-7,9,19H,2H2,1H3,(H,17,20)(H,23,24).
What are the key properties of 1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propylcarbamic acid?
1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propylcarbamic acid has a molecular weight of 347.76 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propylcarbamic acid is sourced from PubChem (CID 118576305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).