5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(3-hydroxyprop-1-en-2-yl)pyridine-2-carboxamide

C20H21N3O3 — CID 135265998

IUPAC5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(3-hydroxyprop-1-en-2-yl)pyridine-2-carboxamide
SMILESC=C(CO)NC(=O)c1ccc(-c2ccc3c(c2)CCCN3C(C)=O)cn1
InChIInChI=1S/C20H21N3O3/c1-13(12-24)22-20(26)18-7-5-17(11-21-18)15-6-8-19-16(10-15)4-3-9-23(19)14(2)25/h5-8,10-11,24H,1,3-4,9,12H2,2H3,(H,22,26)
InChIKeyWYAGMFMNENNOFV-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.28
Rot. Bonds4

About 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(3-hydroxyprop-1-en-2-yl)pyridine-2-carboxamide

5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(3-hydroxyprop-1-en-2-yl)pyridine-2-carboxamide (PubChem CID 135265998) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(3-hydroxyprop-1-en-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(3-hydroxyprop-1-en-2-yl)pyridine-2-carboxamide
PubChem CID135265998
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(3-hydroxyprop-1-en-2-yl)pyridine-2-carboxamide
SMILESC=C(CO)NC(=O)c1ccc(-c2ccc3c(c2)CCCN3C(C)=O)cn1
InChIInChI=1S/C20H21N3O3/c1-13(12-24)22-20(26)18-7-5-17(11-21-18)15-6-8-19-16(10-15)4-3-9-23(19)14(2)25/h5-8,10-11,24H,1,3-4,9,12H2,2H3,(H,22,26)
InChIKeyWYAGMFMNENNOFV-UHFFFAOYSA-N
XLogP2.28
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide
CID 139019291
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide
CID 129145256
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid
CID 129145060
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
5-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N-(1,3-dihydroxypropan-2-yl)pyridine-2-carboxamide
CID 129145250
5-[1-[1-acetyl-4-(oxan-4-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide
CID 139398769
3-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)propanamide
CID 129145248
acetylene;ethane;1-[6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;N'-methylethanimidamide
CID 144547241
4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
CID 153360984
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
CID 20618502
1-[6-(2,2-dimethylpropyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 91584426

Frequently Asked Questions

What is the IUPAC name of 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(3-hydroxyprop-1-en-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(3-hydroxyprop-1-en-2-yl)pyridine-2-carboxamide (CID 135265998) is 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(3-hydroxyprop-1-en-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(3-hydroxyprop-1-en-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(3-hydroxyprop-1-en-2-yl)pyridine-2-carboxamide is C=C(CO)NC(=O)c1ccc(-c2ccc3c(c2)CCCN3C(C)=O)cn1.
What is the InChIKey of 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(3-hydroxyprop-1-en-2-yl)pyridine-2-carboxamide?
The InChIKey is WYAGMFMNENNOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(12-24)22-20(26)18-7-5-17(11-21-18)15-6-8-19-16(10-15)4-3-9-23(19)14(2)25/h5-8,10-11,24H,1,3-4,9,12H2,2H3,(H,22,26).
What are the key properties of 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(3-hydroxyprop-1-en-2-yl)pyridine-2-carboxamide?
5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(3-hydroxyprop-1-en-2-yl)pyridine-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(3-hydroxyprop-1-en-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 135265998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).