1,4-dihydroquinoline-3-carboxamide;hydrate

C10H12N2O2 — CID 172810092

IUPAC1,4-dihydroquinoline-3-carboxamide;hydrate
SMILESNC(=O)C1=CNc2ccccc2C1.O
InChIInChI=1S/C10H10N2O.H2O/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8;/h1-4,6,12H,5H2,(H2,11,13);1H2
InChIKeyTVYKYQBTSDCIHV-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.20
Rot. Bonds1

About 1,4-dihydroquinoline-3-carboxamide;hydrate

1,4-dihydroquinoline-3-carboxamide;hydrate (PubChem CID 172810092) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1,4-dihydroquinoline-3-carboxamide;hydrate.

Molecular Properties

Compound Name1,4-dihydroquinoline-3-carboxamide;hydrate
PubChem CID172810092
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1,4-dihydroquinoline-3-carboxamide;hydrate
SMILESNC(=O)C1=CNc2ccccc2C1.O
InChIInChI=1S/C10H10N2O.H2O/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8;/h1-4,6,12H,5H2,(H2,11,13);1H2
InChIKeyTVYKYQBTSDCIHV-UHFFFAOYSA-N
XLogP0.20
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dihydroquinoline-3-carbonyl chloride
CID 131988217
phenyl 1,4-dihydroquinoline-3-carboxylate
CID 154399679
1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 140520680
1,4-dihydrocinnoline-3-carboxamide
CID 89488253
9,10-dihydroacridine
CID 137366999
2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 141081638
6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide
CID 91028665
acetic acid;1,3-dihydroindol-2-one
CID 158067424
bicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea
CID 19082332
benzamide;1,2,3,4-tetrahydroquinoline
CID 68819505
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013
1,2,4-triazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13),11-pentaene-11-carboxamide
CID 90711444

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroquinoline-3-carboxamide;hydrate?
The IUPAC name of 1,4-dihydroquinoline-3-carboxamide;hydrate (CID 172810092) is 1,4-dihydroquinoline-3-carboxamide;hydrate.
What is the SMILES notation for 1,4-dihydroquinoline-3-carboxamide;hydrate?
The canonical SMILES for 1,4-dihydroquinoline-3-carboxamide;hydrate is NC(=O)C1=CNc2ccccc2C1.O.
What is the InChIKey of 1,4-dihydroquinoline-3-carboxamide;hydrate?
The InChIKey is TVYKYQBTSDCIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.H2O/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8;/h1-4,6,12H,5H2,(H2,11,13);1H2.
What are the key properties of 1,4-dihydroquinoline-3-carboxamide;hydrate?
1,4-dihydroquinoline-3-carboxamide;hydrate has a molecular weight of 192.22 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroquinoline-3-carboxamide;hydrate is sourced from PubChem (CID 172810092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).