2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide

C16H20N4O — CID 102713604

IUPAC2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide
SMILESCc1cc2c(NC(C)C(=O)NC3CC3)ccc(N)c2cn1
InChIInChI=1S/C16H20N4O/c1-9-7-12-13(8-18-9)14(17)5-6-15(12)19-10(2)16(21)20-11-3-4-11/h5-8,10-11,19H,3-4,17H2,1-2H3,(H,20,21)
InChIKeyMTFLRRKSUJPNFA-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.20
Rot. Bonds4

About 2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide

2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide (PubChem CID 102713604) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide
PubChem CID102713604
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide
SMILESCc1cc2c(NC(C)C(=O)NC3CC3)ccc(N)c2cn1
InChIInChI=1S/C16H20N4O/c1-9-7-12-13(8-18-9)14(17)5-6-15(12)19-10(2)16(21)20-11-3-4-11/h5-8,10-11,19H,3-4,17H2,1-2H3,(H,20,21)
InChIKeyMTFLRRKSUJPNFA-UHFFFAOYSA-N
XLogP2.20
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine
CID 102712921
2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide
CID 113406572
5-N-(2-cyclopropylpropyl)-3-methylisoquinoline-5,8-diamine
CID 102713629
3-methyl-5-N-(thiolan-3-yl)isoquinoline-5,8-diamine
CID 103062439
5-N-[4-(dimethylamino)butan-2-yl]-3-methylisoquinoline-5,8-diamine
CID 102713208
3-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]isoquinoline-5,8-diamine
CID 102713195
2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide
CID 43083917
N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide
CID 43088822
3-methyl-5-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]isoquinoline-5,8-diamine
CID 102713439
N-cyclopropyl-2-(2,4-dichloroanilino)propanamide
CID 43085964
(2R)-N-cyclopentyl-2-(2,5-dimethylanilino)propanamide
CID 28827851
5-N-(2-ethylphenyl)-3-methylisoquinoline-5,8-diamine
CID 102713003

Frequently Asked Questions

What is the IUPAC name of 2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide (CID 102713604) is 2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide is Cc1cc2c(NC(C)C(=O)NC3CC3)ccc(N)c2cn1.
What is the InChIKey of 2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide?
The InChIKey is MTFLRRKSUJPNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-9-7-12-13(8-18-9)14(17)5-6-15(12)19-10(2)16(21)20-11-3-4-11/h5-8,10-11,19H,3-4,17H2,1-2H3,(H,20,21).
What are the key properties of 2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide?
2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 102713604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).