4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide

C16H22N4O — CID 14012378

IUPAC4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(CC(C)C)cccc2c1N
InChIInChI=1S/C16H22N4O/c1-4-8-18-16(21)15-13(17)12-7-5-6-11(9-10(2)3)14(12)19-20-15/h5-7,10H,4,8-9H2,1-3H3,(H2,17,19)(H,18,21)
InChIKeyOXDLZFDSMXMUKS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.55
Rot. Bonds5

About 4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide

4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide (PubChem CID 14012378) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide
PubChem CID14012378
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(CC(C)C)cccc2c1N
InChIInChI=1S/C16H22N4O/c1-4-8-18-16(21)15-13(17)12-7-5-6-11(9-10(2)3)14(12)19-20-15/h5-7,10H,4,8-9H2,1-3H3,(H2,17,19)(H,18,21)
InChIKeyOXDLZFDSMXMUKS-UHFFFAOYSA-N
XLogP2.55
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Cinnolinecarboxamide, 4-amino-
CID 2814562
4-Amino-8-phenyl-N-propyl-3-cinnolinecarboxamide
CID 14012376
4-amino-8-(2,5-dimethylphenyl)-N-propyl-cinnoline-3-carboxamide
CID 25132065
4-Amino-8-(m-tolyl)-N-propyl-cinnoline-3-carboxamide
CID 25133443
4-amino-8-(2,6-dimethylphenyl)-N-propylcinnoline-3-carboxamide
CID 25183555
4-amino-8-(3,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide
CID 25183558
4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide
CID 54582352
4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide
CID 54583334
7-(4-Methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
CID 71061321
7-(4-Fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
CID 71061190
7-(2-Fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
CID 71061401
4-(Ethylamino)-7-(3-fluorophenyl)cinnoline-3-carboxamide
CID 136215314

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide (CID 14012378) is 4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(CC(C)C)cccc2c1N.
What is the InChIKey of 4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide?
The InChIKey is OXDLZFDSMXMUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-8-18-16(21)15-13(17)12-7-5-6-11(9-10(2)3)14(12)19-20-15/h5-7,10H,4,8-9H2,1-3H3,(H2,17,19)(H,18,21).
What are the key properties of 4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide?
4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 14012378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).