1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one

C24H25N5O3 — CID 110219386

IUPAC1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one
SMILESCCn1cc(C(=O)N2CCCC3(C2)NC(=O)c2ccccc2N3)c(=O)c2ccc(C)nc21
InChIInChI=1S/C24H25N5O3/c1-3-28-13-18(20(30)17-10-9-15(2)25-21(17)28)23(32)29-12-6-11-24(14-29)26-19-8-5-4-7-16(19)22(31)27-24/h4-5,7-10,13,26H,3,6,11-12,14H2,1-2H3,(H,27,31)
InChIKeyHQXMMJBWMJVEER-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.51
Rot. Bonds2

About 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one

1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one (PubChem CID 110219386) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one
PubChem CID110219386
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one
SMILESCCn1cc(C(=O)N2CCCC3(C2)NC(=O)c2ccccc2N3)c(=O)c2ccc(C)nc21
InChIInChI=1S/C24H25N5O3/c1-3-28-13-18(20(30)17-10-9-15(2)25-21(17)28)23(32)29-12-6-11-24(14-29)26-19-8-5-4-7-16(19)22(31)27-24/h4-5,7-10,13,26H,3,6,11-12,14H2,1-2H3,(H,27,31)
InChIKeyHQXMMJBWMJVEER-UHFFFAOYSA-N
XLogP2.51
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
CID 110219417
(2R)-1'-(5-methyl-1H-pyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one
CID 95807908
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 43811695
3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 90537434
1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one
CID 167777280
3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 5309135
1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 42650197
3-[3-(benzenesulfonyl)pyrrolidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 90584924
1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 654366
1'-[2-(4-methylsulfonylphenyl)acetyl]spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one
CID 110219356
1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one
CID 121069458
1-ethyl-7-methyl-3-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one
CID 100645703

Frequently Asked Questions

What is the IUPAC name of 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one?
The IUPAC name of 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one (CID 110219386) is 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one.
What is the SMILES notation for 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one?
The canonical SMILES for 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one is CCn1cc(C(=O)N2CCCC3(C2)NC(=O)c2ccccc2N3)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one?
The InChIKey is HQXMMJBWMJVEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-3-28-13-18(20(30)17-10-9-15(2)25-21(17)28)23(32)29-12-6-11-24(14-29)26-19-8-5-4-7-16(19)22(31)27-24/h4-5,7-10,13,26H,3,6,11-12,14H2,1-2H3,(H,27,31).
What are the key properties of 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one?
1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one has a molecular weight of 431.50 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one is sourced from PubChem (CID 110219386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).