7-methyl-3-(4-propyl-1,4-diazepane-1-carbonyl)-1H-1,8-naphthyridin-4-one

C18H24N4O2 — CID 71931098

IUPAC7-methyl-3-(4-propyl-1,4-diazepane-1-carbonyl)-1H-1,8-naphthyridin-4-one
SMILESCCCN1CCCN(C(=O)c2c[nH]c3nc(C)ccc3c2=O)CC1
InChIInChI=1S/C18H24N4O2/c1-3-7-21-8-4-9-22(11-10-21)18(24)15-12-19-17-14(16(15)23)6-5-13(2)20-17/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,20,23)
InChIKeyBVGKEYRXPSWGCG-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.79
Rot. Bonds3

About 7-methyl-3-(4-propyl-1,4-diazepane-1-carbonyl)-1H-1,8-naphthyridin-4-one

7-methyl-3-(4-propyl-1,4-diazepane-1-carbonyl)-1H-1,8-naphthyridin-4-one (PubChem CID 71931098) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 7-methyl-3-(4-propyl-1,4-diazepane-1-carbonyl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-methyl-3-(4-propyl-1,4-diazepane-1-carbonyl)-1H-1,8-naphthyridin-4-one
PubChem CID71931098
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name7-methyl-3-(4-propyl-1,4-diazepane-1-carbonyl)-1H-1,8-naphthyridin-4-one
SMILESCCCN1CCCN(C(=O)c2c[nH]c3nc(C)ccc3c2=O)CC1
InChIInChI=1S/C18H24N4O2/c1-3-7-21-8-4-9-22(11-10-21)18(24)15-12-19-17-14(16(15)23)6-5-13(2)20-17/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,20,23)
InChIKeyBVGKEYRXPSWGCG-UHFFFAOYSA-N
XLogP1.79
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methyl-3-(4-propyl-1,4-diazepane-1-carbonyl)-1H-1,8-naphthyridin-4-one with MolForge

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Related Compounds

(6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 56822431
3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one
CID 60516238
N-(diaminomethylidene)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 10802802
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 80665013
7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 70550478
7-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide
CID 60506748
2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide
CID 166001796
[6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylpiperazin-1-yl)methanone
CID 81236525
2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 103717962
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 56823018
N-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 112707495
6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 62710173

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(4-propyl-1,4-diazepane-1-carbonyl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-methyl-3-(4-propyl-1,4-diazepane-1-carbonyl)-1H-1,8-naphthyridin-4-one (CID 71931098) is 7-methyl-3-(4-propyl-1,4-diazepane-1-carbonyl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-methyl-3-(4-propyl-1,4-diazepane-1-carbonyl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-methyl-3-(4-propyl-1,4-diazepane-1-carbonyl)-1H-1,8-naphthyridin-4-one is CCCN1CCCN(C(=O)c2c[nH]c3nc(C)ccc3c2=O)CC1.
What is the InChIKey of 7-methyl-3-(4-propyl-1,4-diazepane-1-carbonyl)-1H-1,8-naphthyridin-4-one?
The InChIKey is BVGKEYRXPSWGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-7-21-8-4-9-22(11-10-21)18(24)15-12-19-17-14(16(15)23)6-5-13(2)20-17/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,20,23).
What are the key properties of 7-methyl-3-(4-propyl-1,4-diazepane-1-carbonyl)-1H-1,8-naphthyridin-4-one?
7-methyl-3-(4-propyl-1,4-diazepane-1-carbonyl)-1H-1,8-naphthyridin-4-one has a molecular weight of 328.42 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-propyl-1,4-diazepane-1-carbonyl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 71931098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).