2-(3-methoxyphenyl)-10-methyl-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C21H22N6O — CID 175738812

IUPAC2-(3-methoxyphenyl)-10-methyl-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc(-c2nc3c4c(C)cccc4nc(N[C@@H]4CCNC4)n3n2)c1
InChIInChI=1S/C21H22N6O/c1-13-5-3-8-17-18(13)20-25-19(14-6-4-7-16(11-14)28-2)26-27(20)21(24-17)23-15-9-10-22-12-15/h3-8,11,15,22H,9-10,12H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyOXWRKCXHYYQDEJ-OAHLLOKOSA-N
MW374.45 g/mol
LogP3.04
Rot. Bonds4

About 2-(3-methoxyphenyl)-10-methyl-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-(3-methoxyphenyl)-10-methyl-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 175738812) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-10-methyl-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-10-methyl-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID175738812
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name2-(3-methoxyphenyl)-10-methyl-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc(-c2nc3c4c(C)cccc4nc(N[C@@H]4CCNC4)n3n2)c1
InChIInChI=1S/C21H22N6O/c1-13-5-3-8-17-18(13)20-25-19(14-6-4-7-16(11-14)28-2)26-27(20)21(24-17)23-15-9-10-22-12-15/h3-8,11,15,22H,9-10,12H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyOXWRKCXHYYQDEJ-OAHLLOKOSA-N
XLogP3.04
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-10-methyl-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-(3-methoxyphenyl)-10-methyl-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 175738812) is 2-(3-methoxyphenyl)-10-methyl-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-10-methyl-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-10-methyl-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc(-c2nc3c4c(C)cccc4nc(N[C@@H]4CCNC4)n3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-10-methyl-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is OXWRKCXHYYQDEJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N6O/c1-13-5-3-8-17-18(13)20-25-19(14-6-4-7-16(11-14)28-2)26-27(20)21(24-17)23-15-9-10-22-12-15/h3-8,11,15,22H,9-10,12H2,1-2H3,(H,23,24)/t15-/m1/s1.
What are the key properties of 2-(3-methoxyphenyl)-10-methyl-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-(3-methoxyphenyl)-10-methyl-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 374.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-10-methyl-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 175738812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).