1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one

C21H21N3O — CID 163350691

IUPAC1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCc2nc3ncccc3cc2C1
InChIInChI=1S/C21H21N3O/c25-20(10-4-8-16-6-2-1-3-7-16)24-13-11-19-18(15-24)14-17-9-5-12-22-21(17)23-19/h1-3,5-7,9,12,14H,4,8,10-11,13,15H2
InChIKeyLPPMJMMDUYFBDT-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.54
Rot. Bonds4

About 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one

1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one (PubChem CID 163350691) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one
PubChem CID163350691
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCc2nc3ncccc3cc2C1
InChIInChI=1S/C21H21N3O/c25-20(10-4-8-16-6-2-1-3-7-16)24-13-11-19-18(15-24)14-17-9-5-12-22-21(17)23-19/h1-3,5-7,9,12,14H,4,8,10-11,13,15H2
InChIKeyLPPMJMMDUYFBDT-UHFFFAOYSA-N
XLogP3.54
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one
CID 163351897
1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-(4-fluorophenoxy)ethanone
CID 163350693
3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 163354439
8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-(3,5-dimethoxyphenyl)methanone
CID 163350715
6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one
CID 163352343
7-[2-(4-chlorophenyl)ethyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 24731639
5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one
CID 163351885
N-(4-fluorophenyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide
CID 163350838
[2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone
CID 163348754
8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 163348712
1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-phenylpropan-1-one
CID 121190856
4-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)ethyl]-N,N-dimethylaniline
CID 24731654

Frequently Asked Questions

What is the IUPAC name of 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one?
The IUPAC name of 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one (CID 163350691) is 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one is O=C(CCCc1ccccc1)N1CCc2nc3ncccc3cc2C1.
What is the InChIKey of 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one?
The InChIKey is LPPMJMMDUYFBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-20(10-4-8-16-6-2-1-3-7-16)24-13-11-19-18(15-24)14-17-9-5-12-22-21(17)23-19/h1-3,5-7,9,12,14H,4,8,10-11,13,15H2.
What are the key properties of 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one?
1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one has a molecular weight of 331.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 163350691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).