1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C29H35N5O3 — CID 170591461

IUPAC1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC1CCc2c(-c3cc4c(n(CC5CC5)c3=O)CCN(C(=O)C3=NN(C)C(=O)CC3)C4)cccc2N1C
InChIInChI=1S/C29H35N5O3/c1-18-7-10-22-21(5-4-6-26(22)31(18)2)23-15-20-17-33(29(37)24-11-12-27(35)32(3)30-24)14-13-25(20)34(28(23)36)16-19-8-9-19/h4-6,15,18-19H,7-14,16-17H2,1-3H3
InChIKeyKLDRBLSQAKEAGS-UHFFFAOYSA-N
MW501.63 g/mol
LogP3.19
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 170591461) has the molecular formula C29H35N5O3 and a molecular weight of 501.63 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID170591461
Molecular FormulaC29H35N5O3
Molecular Weight501.63 g/mol
Exact Mass501.27
IUPAC Name1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC1CCc2c(-c3cc4c(n(CC5CC5)c3=O)CCN(C(=O)C3=NN(C)C(=O)CC3)C4)cccc2N1C
InChIInChI=1S/C29H35N5O3/c1-18-7-10-22-21(5-4-6-26(22)31(18)2)23-15-20-17-33(29(37)24-11-12-27(35)32(3)30-24)14-13-25(20)34(28(23)36)16-19-8-9-19/h4-6,15,18-19H,7-14,16-17H2,1-3H3
InChIKeyKLDRBLSQAKEAGS-UHFFFAOYSA-N
XLogP3.19
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.63
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one with MolForge

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Related Compounds

1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26141341
3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26137700
1-(cyclopropylmethyl)-3-(2-methylquinolin-5-yl)-6-(spiro[2.3]hexane-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 45161009
2-methyl-6-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 90495112
3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(1-propylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26225062
6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 55557861
2-methyl-6-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]-4,5-dihydropyridazin-3-one
CID 30155535
1-(cyclopropylmethyl)-7-(pyridazine-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97411617
6-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 94106743
6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 115746625
6-(4-acetylpiperazine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one
CID 47016916
3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26133902

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 170591461) is 1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is CC1CCc2c(-c3cc4c(n(CC5CC5)c3=O)CCN(C(=O)C3=NN(C)C(=O)CC3)C4)cccc2N1C.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is KLDRBLSQAKEAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O3/c1-18-7-10-22-21(5-4-6-26(22)31(18)2)23-15-20-17-33(29(37)24-11-12-27(35)32(3)30-24)14-13-25(20)34(28(23)36)16-19-8-9-19/h4-6,15,18-19H,7-14,16-17H2,1-3H3.
What are the key properties of 1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 501.63 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 170591461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).