1-benzoyl-N-(2-phenoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-6-carboxamide

C28H23N3O3 — CID 166184495

IUPAC1-benzoyl-N-(2-phenoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESO=C(Nc1cccnc1Oc1ccccc1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1
InChIInChI=1S/C28H23N3O3/c32-26(30-24-14-7-17-29-27(24)34-23-12-5-2-6-13-23)22-15-16-25-21(19-22)11-8-18-31(25)28(33)20-9-3-1-4-10-20/h1-7,9-10,12-17,19H,8,11,18H2,(H,30,32)
InChIKeyJVKBDVAATOGCME-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.72
Rot. Bonds5

About 1-benzoyl-N-(2-phenoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-6-carboxamide

1-benzoyl-N-(2-phenoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 166184495) has the molecular formula C28H23N3O3 and a molecular weight of 449.51 g/mol. Its IUPAC name is 1-benzoyl-N-(2-phenoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(2-phenoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID166184495
Molecular FormulaC28H23N3O3
Molecular Weight449.51 g/mol
Exact Mass449.17
IUPAC Name1-benzoyl-N-(2-phenoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESO=C(Nc1cccnc1Oc1ccccc1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1
InChIInChI=1S/C28H23N3O3/c32-26(30-24-14-7-17-29-27(24)34-23-12-5-2-6-13-23)22-15-16-25-21(19-22)11-8-18-31(25)28(33)20-9-3-1-4-10-20/h1-7,9-10,12-17,19H,8,11,18H2,(H,30,32)
InChIKeyJVKBDVAATOGCME-UHFFFAOYSA-N
XLogP5.72
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 121084310
methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 16834631
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 27557623
4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
CID 43068510
4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 112505958
1-(4-fluorobenzoyl)-N-(4-phenoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248136
3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
CID 43068553
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710
3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
CID 19607806
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-phenoxybenzamide
CID 22405231
3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone
CID 70891037
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(2-phenoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-benzoyl-N-(2-phenoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-6-carboxamide (CID 166184495) is 1-benzoyl-N-(2-phenoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(2-phenoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-benzoyl-N-(2-phenoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-6-carboxamide is O=C(Nc1cccnc1Oc1ccccc1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-(2-phenoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is JVKBDVAATOGCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3/c32-26(30-24-14-7-17-29-27(24)34-23-12-5-2-6-13-23)22-15-16-25-21(19-22)11-8-18-31(25)28(33)20-9-3-1-4-10-20/h1-7,9-10,12-17,19H,8,11,18H2,(H,30,32).
What are the key properties of 1-benzoyl-N-(2-phenoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
1-benzoyl-N-(2-phenoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(2-phenoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 166184495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).