N-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

C20H19N5O — CID 46063348

IUPACN-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCOc1cccc(-c2nnc3c4cc(C)ccc4nc(NC4CC4)n23)c1
InChIInChI=1S/C20H19N5O/c1-12-6-9-17-16(10-12)19-24-23-18(13-4-3-5-15(11-13)26-2)25(19)20(22-17)21-14-7-8-14/h3-6,9-11,14H,7-8H2,1-2H3,(H,21,22)
InChIKeySOEWRWPVKIGZKU-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.84
Rot. Bonds4

About N-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

N-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (PubChem CID 46063348) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
PubChem CID46063348
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCOc1cccc(-c2nnc3c4cc(C)ccc4nc(NC4CC4)n23)c1
InChIInChI=1S/C20H19N5O/c1-12-6-9-17-16(10-12)19-24-23-18(13-4-3-5-15(11-13)26-2)25(19)20(22-17)21-14-7-8-14/h3-6,9-11,14H,7-8H2,1-2H3,(H,21,22)
InChIKeySOEWRWPVKIGZKU-UHFFFAOYSA-N
XLogP3.84
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864468
N-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864602
1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 141464565
5-(4-benzylpiperidin-1-yl)-3-(3,5-dimethoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063439
cyclopentyl-[4-[3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl]methanone
CID 46045091
N-benzyl-3-(4-methoxyphenyl)-N,9-dimethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 46063466
5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 42864317
N-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880484
3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864498
2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4744706
(2-fluorophenyl)-[(2S)-4-[3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl]methanone
CID 92993731
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The IUPAC name of N-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (CID 46063348) is N-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The canonical SMILES for N-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is COc1cccc(-c2nnc3c4cc(C)ccc4nc(NC4CC4)n23)c1.
What is the InChIKey of N-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The InChIKey is SOEWRWPVKIGZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-12-6-9-17-16(10-12)19-24-23-18(13-4-3-5-15(11-13)26-2)25(19)20(22-17)21-14-7-8-14/h3-6,9-11,14H,7-8H2,1-2H3,(H,21,22).
What are the key properties of N-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
N-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine has a molecular weight of 345.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is sourced from PubChem (CID 46063348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).