N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C19H18N2O3 — CID 94016891

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)N[C@@H]3CCOc4ccccc43)ccc2N1
InChIInChI=1S/C19H18N2O3/c22-18-8-6-12-11-13(5-7-15(12)20-18)19(23)21-16-9-10-24-17-4-2-1-3-14(16)17/h1-5,7,11,16H,6,8-10H2,(H,20,22)(H,21,23)/t16-/m1/s1
InChIKeyBNBRMOGIAJYYLL-MRXNPFEDSA-N
MW322.36 g/mol
LogP2.82
Rot. Bonds2

About N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 94016891) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID94016891
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)N[C@@H]3CCOc4ccccc43)ccc2N1
InChIInChI=1S/C19H18N2O3/c22-18-8-6-12-11-13(5-7-15(12)20-18)19(23)21-16-9-10-24-17-4-2-1-3-14(16)17/h1-5,7,11,16H,6,8-10H2,(H,20,22)(H,21,23)/t16-/m1/s1
InChIKeyBNBRMOGIAJYYLL-MRXNPFEDSA-N
XLogP2.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Related Compounds

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(3R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
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2-oxo-N-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydro-1H-quinoline-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 94016891) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is O=C1CCc2cc(C(=O)N[C@@H]3CCOc4ccccc43)ccc2N1.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is BNBRMOGIAJYYLL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-18-8-6-12-11-13(5-7-15(12)20-18)19(23)21-16-9-10-24-17-4-2-1-3-14(16)17/h1-5,7,11,16H,6,8-10H2,(H,20,22)(H,21,23)/t16-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 94016891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).