N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

C16H21N3O2 — CID 106901257

IUPACN-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(NC1CCCCNC1=O)C1CNc2ccccc2C1
InChIInChI=1S/C16H21N3O2/c20-15(19-14-7-3-4-8-17-16(14)21)12-9-11-5-1-2-6-13(11)18-10-12/h1-2,5-6,12,14,18H,3-4,7-10H2,(H,17,21)(H,19,20)
InChIKeyTZFCIPHCEJVDCI-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.06
Rot. Bonds2

About N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901257) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901257
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(NC1CCCCNC1=O)C1CNc2ccccc2C1
InChIInChI=1S/C16H21N3O2/c20-15(19-14-7-3-4-8-17-16(14)21)12-9-11-5-1-2-6-13(11)18-10-12/h1-2,5-6,12,14,18H,3-4,7-10H2,(H,17,21)(H,19,20)
InChIKeyTZFCIPHCEJVDCI-UHFFFAOYSA-N
XLogP1.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887963
N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565291
N-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119307988
N-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901808
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901730
3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one
CID 3844156
N-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901425
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902751
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
(2-oxoazepan-3-yl)carbamic acid
CID 18612606

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901257) is N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is O=C(NC1CCCCNC1=O)C1CNc2ccccc2C1.
What is the InChIKey of N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is TZFCIPHCEJVDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15(19-14-7-3-4-8-17-16(14)21)12-9-11-5-1-2-6-13(11)18-10-12/h1-2,5-6,12,14,18H,3-4,7-10H2,(H,17,21)(H,19,20).
What are the key properties of N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).