2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide

C14H16N4O — CID 63885442

IUPAC2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide
SMILESNC(=O)c1cc(NC2CC(N)C2)nc2ccccc12
InChIInChI=1S/C14H16N4O/c15-8-5-9(6-8)17-13-7-11(14(16)19)10-3-1-2-4-12(10)18-13/h1-4,7-9H,5-6,15H2,(H2,16,19)(H,17,18)
InChIKeyMNMQPRXVZFFQCM-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.24
Rot. Bonds3

About 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide

2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide (PubChem CID 63885442) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide
PubChem CID63885442
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide
SMILESNC(=O)c1cc(NC2CC(N)C2)nc2ccccc12
InChIInChI=1S/C14H16N4O/c15-8-5-9(6-8)17-13-7-11(14(16)19)10-3-1-2-4-12(10)18-13/h1-4,7-9H,5-6,15H2,(H2,16,19)(H,17,18)
InChIKeyMNMQPRXVZFFQCM-UHFFFAOYSA-N
XLogP1.24
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide?
The IUPAC name of 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide (CID 63885442) is 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide.
What is the SMILES notation for 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide?
The canonical SMILES for 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide is NC(=O)c1cc(NC2CC(N)C2)nc2ccccc12.
What is the InChIKey of 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide?
The InChIKey is MNMQPRXVZFFQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-8-5-9(6-8)17-13-7-11(14(16)19)10-3-1-2-4-12(10)18-13/h1-4,7-9H,5-6,15H2,(H2,16,19)(H,17,18).
What are the key properties of 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide?
2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide is sourced from PubChem (CID 63885442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).