3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide

C15H17BrN4O — CID 79378044

IUPAC3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide
SMILESNc1cnc2ccc(Br)cc2c1NCCC(=O)NC1CC1
InChIInChI=1S/C15H17BrN4O/c16-9-1-4-13-11(7-9)15(12(17)8-19-13)18-6-5-14(21)20-10-2-3-10/h1,4,7-8,10H,2-3,5-6,17H2,(H,18,19)(H,20,21)
InChIKeyIHXVFPUUVQCPLE-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.66
Rot. Bonds5

About 3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide

3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide (PubChem CID 79378044) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide
PubChem CID79378044
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide
SMILESNc1cnc2ccc(Br)cc2c1NCCC(=O)NC1CC1
InChIInChI=1S/C15H17BrN4O/c16-9-1-4-13-11(7-9)15(12(17)8-19-13)18-6-5-14(21)20-10-2-3-10/h1,4,7-8,10H,2-3,5-6,17H2,(H,18,19)(H,20,21)
InChIKeyIHXVFPUUVQCPLE-UHFFFAOYSA-N
XLogP2.66
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 19866
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-bromo-1-(3-(dimethylamino)propyl)-5-(2-pyridyl)-, dihydrochloride
CID 20538
N-(2-(4-Quinolinylamino)ethyl)acetamide
CID 10657038
N-(5-bromo-8-quinolinyl)acetamide
CID 753288
3-bromo-N-quinolin-8-ylpropanamide
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CID 2756374

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide (CID 79378044) is 3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide is Nc1cnc2ccc(Br)cc2c1NCCC(=O)NC1CC1.
What is the InChIKey of 3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide?
The InChIKey is IHXVFPUUVQCPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-9-1-4-13-11(7-9)15(12(17)8-19-13)18-6-5-14(21)20-10-2-3-10/h1,4,7-8,10H,2-3,5-6,17H2,(H,18,19)(H,20,21).
What are the key properties of 3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide?
3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide has a molecular weight of 349.23 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 79378044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).