4-amino-8-(5-methyl-1H-indazol-6-yl)quinoline-3-carboxamide

C18H15N5O — CID 155516495

IUPAC4-amino-8-(5-methyl-1H-indazol-6-yl)quinoline-3-carboxamide
SMILESCc1cc2cn[nH]c2cc1-c1cccc2c(N)c(C(N)=O)cnc12
InChIInChI=1S/C18H15N5O/c1-9-5-10-7-22-23-15(10)6-13(9)11-3-2-4-12-16(19)14(18(20)24)8-21-17(11)12/h2-8H,1H3,(H2,19,21)(H2,20,24)(H,22,23)
InChIKeyBEJMQLFUJZTVMH-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.77
Rot. Bonds2

About 4-amino-8-(5-methyl-1H-indazol-6-yl)quinoline-3-carboxamide

4-amino-8-(5-methyl-1H-indazol-6-yl)quinoline-3-carboxamide (PubChem CID 155516495) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-amino-8-(5-methyl-1H-indazol-6-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(5-methyl-1H-indazol-6-yl)quinoline-3-carboxamide
PubChem CID155516495
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name4-amino-8-(5-methyl-1H-indazol-6-yl)quinoline-3-carboxamide
SMILESCc1cc2cn[nH]c2cc1-c1cccc2c(N)c(C(N)=O)cnc12
InChIInChI=1S/C18H15N5O/c1-9-5-10-7-22-23-15(10)6-13(9)11-3-2-4-12-16(19)14(18(20)24)8-21-17(11)12/h2-8H,1H3,(H2,19,21)(H2,20,24)(H,22,23)
InChIKeyBEJMQLFUJZTVMH-UHFFFAOYSA-N
XLogP2.77
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(5-methyl-1H-indazol-6-yl)quinoline-3-carboxamide?
The IUPAC name of 4-amino-8-(5-methyl-1H-indazol-6-yl)quinoline-3-carboxamide (CID 155516495) is 4-amino-8-(5-methyl-1H-indazol-6-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(5-methyl-1H-indazol-6-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(5-methyl-1H-indazol-6-yl)quinoline-3-carboxamide is Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(C(N)=O)cnc12.
What is the InChIKey of 4-amino-8-(5-methyl-1H-indazol-6-yl)quinoline-3-carboxamide?
The InChIKey is BEJMQLFUJZTVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-9-5-10-7-22-23-15(10)6-13(9)11-3-2-4-12-16(19)14(18(20)24)8-21-17(11)12/h2-8H,1H3,(H2,19,21)(H2,20,24)(H,22,23).
What are the key properties of 4-amino-8-(5-methyl-1H-indazol-6-yl)quinoline-3-carboxamide?
4-amino-8-(5-methyl-1H-indazol-6-yl)quinoline-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(5-methyl-1H-indazol-6-yl)quinoline-3-carboxamide is sourced from PubChem (CID 155516495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).