N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide

C24H21N5O2 — CID 154860717

IUPACN-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C24H21N5O2/c30-23(29-13-3-5-17-4-1-2-6-22(17)29)14-16-7-10-19(11-8-16)25-24(31)18-9-12-20-21(15-18)27-28-26-20/h1-2,4,6-12,15H,3,5,13-14H2,(H,25,31)(H,26,27,28)
InChIKeyNXWZPVTVNUKBLK-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.73
Rot. Bonds4

About N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide

N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide (PubChem CID 154860717) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide
PubChem CID154860717
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC NameN-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C24H21N5O2/c30-23(29-13-3-5-17-4-1-2-6-22(17)29)14-16-7-10-19(11-8-16)25-24(31)18-9-12-20-21(15-18)27-28-26-20/h1-2,4,6-12,15H,3,5,13-14H2,(H,25,31)(H,26,27,28)
InChIKeyNXWZPVTVNUKBLK-UHFFFAOYSA-N
XLogP3.73
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653
1-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
CID 119763704
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 119312008
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide
CID 24535853
N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide
CID 36542028
3-hydroxy-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide
CID 19607809
3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
CID 19607806
(2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 119763740
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 54839210
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 166192642
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 22782112

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide (CID 154860717) is N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide is O=C(Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is NXWZPVTVNUKBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c30-23(29-13-3-5-17-4-1-2-6-22(17)29)14-16-7-10-19(11-8-16)25-24(31)18-9-12-20-21(15-18)27-28-26-20/h1-2,4,6-12,15H,3,5,13-14H2,(H,25,31)(H,26,27,28).
What are the key properties of N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide?
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 154860717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).