(2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide

C20H18N6O2 — CID 125431705

IUPAC(2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCc1cc(=O)[nH]c2cc(NC(=O)[C@H](Cc3ccccc3)n3cnnn3)ccc12
InChIInChI=1S/C20H18N6O2/c1-13-9-19(27)23-17-11-15(7-8-16(13)17)22-20(28)18(26-12-21-24-25-26)10-14-5-3-2-4-6-14/h2-9,11-12,18H,10H2,1H3,(H,22,28)(H,23,27)/t18-/m0/s1
InChIKeyVCRXKRPMXPODIV-SFHVURJKSA-N
MW374.40 g/mol
LogP2.25
Rot. Bonds5

About (2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide

(2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 125431705) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is (2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID125431705
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name(2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCc1cc(=O)[nH]c2cc(NC(=O)[C@H](Cc3ccccc3)n3cnnn3)ccc12
InChIInChI=1S/C20H18N6O2/c1-13-9-19(27)23-17-11-15(7-8-16(13)17)22-20(28)18(26-12-21-24-25-26)10-14-5-3-2-4-6-14/h2-9,11-12,18H,10H2,1H3,(H,22,28)(H,23,27)/t18-/m0/s1
InChIKeyVCRXKRPMXPODIV-SFHVURJKSA-N
XLogP2.25
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 171132478
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N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 60581011
(2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide
CID 126418132
3-phenyl-N-pyridin-3-yl-2-(tetrazol-1-yl)propanamide
CID 47016922
3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide
CID 24669149
N-(2-fluoro-4-methylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229787
3-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide
CID 55610798
propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate
CID 74661614
(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 75488929
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
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(2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 125431705) is (2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide is Cc1cc(=O)[nH]c2cc(NC(=O)[C@H](Cc3ccccc3)n3cnnn3)ccc12.
What is the InChIKey of (2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is VCRXKRPMXPODIV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-13-9-19(27)23-17-11-15(7-8-16(13)17)22-20(28)18(26-12-21-24-25-26)10-14-5-3-2-4-6-14/h2-9,11-12,18H,10H2,1H3,(H,22,28)(H,23,27)/t18-/m0/s1.
What are the key properties of (2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
(2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 374.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 125431705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).