1-amino-7-(3-methylphenyl)isoquinoline-4-carboxamide

C17H15N3O — CID 123305213

IUPAC1-amino-7-(3-methylphenyl)isoquinoline-4-carboxamide
SMILESCc1cccc(-c2ccc3c(C(N)=O)cnc(N)c3c2)c1
InChIInChI=1S/C17H15N3O/c1-10-3-2-4-11(7-10)12-5-6-13-14(8-12)16(18)20-9-15(13)17(19)21/h2-9H,1H3,(H2,18,20)(H2,19,21)
InChIKeyNAPIBMQUPCWQJN-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.89
Rot. Bonds2

About 1-amino-7-(3-methylphenyl)isoquinoline-4-carboxamide

1-amino-7-(3-methylphenyl)isoquinoline-4-carboxamide (PubChem CID 123305213) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-amino-7-(3-methylphenyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-amino-7-(3-methylphenyl)isoquinoline-4-carboxamide
PubChem CID123305213
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-amino-7-(3-methylphenyl)isoquinoline-4-carboxamide
SMILESCc1cccc(-c2ccc3c(C(N)=O)cnc(N)c3c2)c1
InChIInChI=1S/C17H15N3O/c1-10-3-2-4-11(7-10)12-5-6-13-14(8-12)16(18)20-9-15(13)17(19)21/h2-9H,1H3,(H2,18,20)(H2,19,21)
InChIKeyNAPIBMQUPCWQJN-UHFFFAOYSA-N
XLogP2.89
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(3,3-diphenylpropyl)nicotinamide
CID 11976309
N-(2-fluorophenyl)-1-(piperidin-1-yl)isoquinoline-4-carboxamide
CID 16031303
2-Naphthalen-1-yl-1H-[1,8]naphthyridin-4-one
CID 385176
5-Methyl-2-naphthalen-1-yl-1H-[1,8]naphthyridin-4-one
CID 385177
6-Methyl-2-(naphthalen-1-yl)-1,8-naphthyridin-4(1h)-one
CID 385178
5-Methyl-2-naphthalen-2-yl-1H-[1,8]naphthyridin-4-one
CID 386570
6-Methyl-2-naphthalen-2-yl-1H-[1,8]naphthyridin-4-one
CID 386571
3,6-Dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 10066905
4-methyl-N-(3-(pyridin-2-yl)isoquinolin-1-yl)benzamide
CID 10359831
1-Amino-7-(3-fluorophenyl)isoquinoline-4-carboxamide
CID 71678791
1-amino-N-(cyanomethyl)-7-(3-fluorophenyl)isoquinoline-4-carboxamide
CID 71679297
1-amino-N-cyclopropyl-7-(3-fluorophenyl)isoquinoline-4-carboxamide
CID 71679299

Frequently Asked Questions

What is the IUPAC name of 1-amino-7-(3-methylphenyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-amino-7-(3-methylphenyl)isoquinoline-4-carboxamide (CID 123305213) is 1-amino-7-(3-methylphenyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-amino-7-(3-methylphenyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-amino-7-(3-methylphenyl)isoquinoline-4-carboxamide is Cc1cccc(-c2ccc3c(C(N)=O)cnc(N)c3c2)c1.
What is the InChIKey of 1-amino-7-(3-methylphenyl)isoquinoline-4-carboxamide?
The InChIKey is NAPIBMQUPCWQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-10-3-2-4-11(7-10)12-5-6-13-14(8-12)16(18)20-9-15(13)17(19)21/h2-9H,1H3,(H2,18,20)(H2,19,21).
What are the key properties of 1-amino-7-(3-methylphenyl)isoquinoline-4-carboxamide?
1-amino-7-(3-methylphenyl)isoquinoline-4-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-(3-methylphenyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 123305213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).