1-(cyclopropylmethyl)-3-(2-methylquinolin-5-yl)-6-(spiro[2.3]hexane-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C29H31N3O2 — CID 45161009

IUPAC1-(cyclopropylmethyl)-3-(2-methylquinolin-5-yl)-6-(spiro[2.3]hexane-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCc1ccc2c(-c3cc4c(n(CC5CC5)c3=O)CCN(C(=O)C3CC35CCC5)C4)cccc2n1
InChIInChI=1S/C29H31N3O2/c1-18-6-9-22-21(4-2-5-25(22)30-18)23-14-20-17-31(28(34)24-15-29(24)11-3-12-29)13-10-26(20)32(27(23)33)16-19-7-8-19/h2,4-6,9,14,19,24H,3,7-8,10-13,15-17H2,1H3
InChIKeyKRKZBCGAALGZBM-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.86
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-(2-methylquinolin-5-yl)-6-(spiro[2.3]hexane-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

1-(cyclopropylmethyl)-3-(2-methylquinolin-5-yl)-6-(spiro[2.3]hexane-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 45161009) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(2-methylquinolin-5-yl)-6-(spiro[2.3]hexane-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(2-methylquinolin-5-yl)-6-(spiro[2.3]hexane-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID45161009
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Name1-(cyclopropylmethyl)-3-(2-methylquinolin-5-yl)-6-(spiro[2.3]hexane-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCc1ccc2c(-c3cc4c(n(CC5CC5)c3=O)CCN(C(=O)C3CC35CCC5)C4)cccc2n1
InChIInChI=1S/C29H31N3O2/c1-18-6-9-22-21(4-2-5-25(22)30-18)23-14-20-17-31(28(34)24-15-29(24)11-3-12-29)13-10-26(20)32(27(23)33)16-19-7-8-19/h2,4-6,9,14,19,24H,3,7-8,10-13,15-17H2,1H3
InChIKeyKRKZBCGAALGZBM-UHFFFAOYSA-N
XLogP4.86
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(2-methylquinolin-5-yl)-6-(spiro[2.3]hexane-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 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) is 1-(cyclopropylmethyl)-3-(2-methylquinolin-5-yl)-6-(spiro[2.3]hexane-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(2-methylquinolin-5-yl)-6-(spiro[2.3]hexane-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(2-methylquinolin-5-yl)-6-(spiro[2.3]hexane-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is Cc1ccc2c(-c3cc4c(n(CC5CC5)c3=O)CCN(C(=O)C3CC35CCC5)C4)cccc2n1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(2-methylquinolin-5-yl)-6-(spiro[2.3]hexane-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is KRKZBCGAALGZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-18-6-9-22-21(4-2-5-25(22)30-18)23-14-20-17-31(28(34)24-15-29(24)11-3-12-29)13-10-26(20)32(27(23)33)16-19-7-8-19/h2,4-6,9,14,19,24H,3,7-8,10-13,15-17H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-3-(2-methylquinolin-5-yl)-6-(spiro[2.3]hexane-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
1-(cyclopropylmethyl)-3-(2-methylquinolin-5-yl)-6-(spiro[2.3]hexane-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 453.59 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(2-methylquinolin-5-yl)-6-(spiro[2.3]hexane-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 45161009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).