2-amino-4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide

C18H22N6O2 — CID 155451536

IUPAC2-amino-4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide
SMILESC=CCNC(=O)c1cnc(N)nc1Nc1ccc2c(n1)C(C)(O)CCC2
InChIInChI=1S/C18H22N6O2/c1-3-9-20-16(25)12-10-21-17(19)24-15(12)23-13-7-6-11-5-4-8-18(2,26)14(11)22-13/h3,6-7,10,26H,1,4-5,8-9H2,2H3,(H,20,25)(H3,19,21,22,23,24)
InChIKeyBBCOIPWQBBMYKO-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.66
Rot. Bonds5

About 2-amino-4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide

2-amino-4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide (PubChem CID 155451536) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-amino-4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide
PubChem CID155451536
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-amino-4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide
SMILESC=CCNC(=O)c1cnc(N)nc1Nc1ccc2c(n1)C(C)(O)CCC2
InChIInChI=1S/C18H22N6O2/c1-3-9-20-16(25)12-10-21-17(19)24-15(12)23-13-7-6-11-5-4-8-18(2,26)14(11)22-13/h3,6-7,10,26H,1,4-5,8-9H2,2H3,(H,20,25)(H3,19,21,22,23,24)
InChIKeyBBCOIPWQBBMYKO-UHFFFAOYSA-N
XLogP1.66
TPSA126.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-amino-4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide (CID 155451536) is 2-amino-4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide is C=CCNC(=O)c1cnc(N)nc1Nc1ccc2c(n1)C(C)(O)CCC2.
What is the InChIKey of 2-amino-4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide?
The InChIKey is BBCOIPWQBBMYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-3-9-20-16(25)12-10-21-17(19)24-15(12)23-13-7-6-11-5-4-8-18(2,26)14(11)22-13/h3,6-7,10,26H,1,4-5,8-9H2,2H3,(H,20,25)(H3,19,21,22,23,24).
What are the key properties of 2-amino-4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide?
2-amino-4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide is sourced from PubChem (CID 155451536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).