3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone

C20H19N3O — CID 24678563

IUPAC3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCc3ncccc32)cc1-n1cccc1
InChIInChI=1S/C20H19N3O/c1-15-8-9-16(14-19(15)22-11-2-3-12-22)20(24)23-13-5-6-17-18(23)7-4-10-21-17/h2-4,7-12,14H,5-6,13H2,1H3
InChIKeyXXCQKZBTOKGLMA-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.77
Rot. Bonds2

About 3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone

3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone (PubChem CID 24678563) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone
PubChem CID24678563
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCc3ncccc32)cc1-n1cccc1
InChIInChI=1S/C20H19N3O/c1-15-8-9-16(14-19(15)22-11-2-3-12-22)20(24)23-13-5-6-17-18(23)7-4-10-21-17/h2-4,7-12,14H,5-6,13H2,1H3
InChIKeyXXCQKZBTOKGLMA-UHFFFAOYSA-N
XLogP3.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluorophenyl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
CID 24678454
(1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
CID 136544164
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
3,4-dihydro-2H-1,5-naphthyridin-1-yl-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 138050424
(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one
CID 24678548
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
4-methyl-3-pyrrol-1-ylbenzamide
CID 91674702
2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone
CID 24678440
3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone
CID 167851932
3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone
CID 166241202
(2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one
CID 95157678

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone (CID 24678563) is 3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone is Cc1ccc(C(=O)N2CCCc3ncccc32)cc1-n1cccc1.
What is the InChIKey of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone?
The InChIKey is XXCQKZBTOKGLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-8-9-16(14-19(15)22-11-2-3-12-22)20(24)23-13-5-6-17-18(23)7-4-10-21-17/h2-4,7-12,14H,5-6,13H2,1H3.
What are the key properties of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone?
3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone has a molecular weight of 317.39 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 24678563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).