7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4,6-dimethyl-1H-quinolin-2-one

C19H24N6O — CID 169375875

IUPAC7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4,6-dimethyl-1H-quinolin-2-one
SMILESCc1cc2c(C)cc(=O)[nH]c2cc1N1C(N)=NC(N)=NC12CCCCC2
InChIInChI=1S/C19H24N6O/c1-11-9-16(26)22-14-10-15(12(2)8-13(11)14)25-18(21)23-17(20)24-19(25)6-4-3-5-7-19/h8-10H,3-7H2,1-2H3,(H,22,26)(H4,20,21,23,24)
InChIKeyQQJIXSAWYOGMID-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.25
Rot. Bonds1

About 7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4,6-dimethyl-1H-quinolin-2-one

7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4,6-dimethyl-1H-quinolin-2-one (PubChem CID 169375875) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4,6-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4,6-dimethyl-1H-quinolin-2-one
PubChem CID169375875
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4,6-dimethyl-1H-quinolin-2-one
SMILESCc1cc2c(C)cc(=O)[nH]c2cc1N1C(N)=NC(N)=NC12CCCCC2
InChIInChI=1S/C19H24N6O/c1-11-9-16(26)22-14-10-15(12(2)8-13(11)14)25-18(21)23-17(20)24-19(25)6-4-3-5-7-19/h8-10H,3-7H2,1-2H3,(H,22,26)(H4,20,21,23,24)
InChIKeyQQJIXSAWYOGMID-UHFFFAOYSA-N
XLogP2.25
TPSA112.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-bromo-4-chloro-2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374201
4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-3-methylbenzoic acid
CID 169378317
3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4-methylbenzamide
CID 169378066
5-(2,4-dibromo-5-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375803
5-(2-amino-6-methyl-1,3-benzothiazol-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169376476
5-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374603
5-(2-fluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373563
1-[2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4-methylphenyl]ethanone
CID 169377769
methyl 5-bromo-2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4-methylbenzoate
CID 169377785
5-(4-butyl-2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374022
N-cyclopropyl-3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4-methylbenzamide
CID 169374961
3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-ethyl-4-methylbenzamide
CID 169374241

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4,6-dimethyl-1H-quinolin-2-one?
The IUPAC name of 7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4,6-dimethyl-1H-quinolin-2-one (CID 169375875) is 7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4,6-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4,6-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4,6-dimethyl-1H-quinolin-2-one is Cc1cc2c(C)cc(=O)[nH]c2cc1N1C(N)=NC(N)=NC12CCCCC2.
What is the InChIKey of 7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4,6-dimethyl-1H-quinolin-2-one?
The InChIKey is QQJIXSAWYOGMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-11-9-16(26)22-14-10-15(12(2)8-13(11)14)25-18(21)23-17(20)24-19(25)6-4-3-5-7-19/h8-10H,3-7H2,1-2H3,(H,22,26)(H4,20,21,23,24).
What are the key properties of 7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4,6-dimethyl-1H-quinolin-2-one?
7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4,6-dimethyl-1H-quinolin-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.25, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4,6-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 169375875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).