N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C19H18N2O4 — CID 33330887

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)N[C@@H]3CCOc4ccccc43)cc21
InChIInChI=1S/C19H18N2O4/c22-16-6-3-5-14-12(16)10-13(18(23)20-14)19(24)21-15-8-9-25-17-7-2-1-4-11(15)17/h1-2,4,7,10,15H,3,5-6,8-9H2,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyWMPSIILTWRGBNE-OAHLLOKOSA-N
MW338.36 g/mol
LogP2.15
Rot. Bonds2

About N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 33330887) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID33330887
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)N[C@@H]3CCOc4ccccc43)cc21
InChIInChI=1S/C19H18N2O4/c22-16-6-3-5-14-12(16)10-13(18(23)20-14)19(24)21-15-8-9-25-17-7-2-1-4-11(15)17/h1-2,4,7,10,15H,3,5-6,8-9H2,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyWMPSIILTWRGBNE-OAHLLOKOSA-N
XLogP2.15
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 30133677
N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 154867397
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572300
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572299
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-sulfanylbenzamide
CID 107028267
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide
CID 9159432
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94526998
N-naphthalen-1-yl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56923268
2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 118790782
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 33330887) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is O=C1CCCc2[nH]c(=O)c(C(=O)N[C@@H]3CCOc4ccccc43)cc21.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is WMPSIILTWRGBNE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-16-6-3-5-14-12(16)10-13(18(23)20-14)19(24)21-15-8-9-25-17-7-2-1-4-11(15)17/h1-2,4,7,10,15H,3,5-6,8-9H2,(H,20,23)(H,21,24)/t15-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 33330887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).