N-[1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide

C23H23N5O2 — CID 86941660

IUPACN-[1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)c2nnn(-c3ccc4ncccc4c3)c2C)c1
InChIInChI=1S/C23H23N5O2/c1-15(12-17-6-4-8-20(13-17)30-3)25-23(29)22-16(2)28(27-26-22)19-9-10-21-18(14-19)7-5-11-24-21/h4-11,13-15H,12H2,1-3H3,(H,25,29)
InChIKeyMFJMJKRSRVQVRG-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.49
Rot. Bonds6

About N-[1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide

N-[1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide (PubChem CID 86941660) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide
PubChem CID86941660
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)c2nnn(-c3ccc4ncccc4c3)c2C)c1
InChIInChI=1S/C23H23N5O2/c1-15(12-17-6-4-8-20(13-17)30-3)25-23(29)22-16(2)28(27-26-22)19-9-10-21-18(14-19)7-5-11-24-21/h4-11,13-15H,12H2,1-3H3,(H,25,29)
InChIKeyMFJMJKRSRVQVRG-UHFFFAOYSA-N
XLogP3.49
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide (CID 86941660) is N-[1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide is COc1cccc(CC(C)NC(=O)c2nnn(-c3ccc4ncccc4c3)c2C)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide?
The InChIKey is MFJMJKRSRVQVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15(12-17-6-4-8-20(13-17)30-3)25-23(29)22-16(2)28(27-26-22)19-9-10-21-18(14-19)7-5-11-24-21/h4-11,13-15H,12H2,1-3H3,(H,25,29).
What are the key properties of N-[1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide?
N-[1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide is sourced from PubChem (CID 86941660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).