2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)benzamide

C24H28N6O — CID 10364610

IUPAC2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)benzamide
SMILESCC(Nc1ccccc1C(=O)Nc1ccc2c(c1)NCCC2(C)C)c1ccnc(N)n1
InChIInChI=1S/C24H28N6O/c1-15(19-10-12-27-23(25)30-19)28-20-7-5-4-6-17(20)22(31)29-16-8-9-18-21(14-16)26-13-11-24(18,2)3/h4-10,12,14-15,26,28H,11,13H2,1-3H3,(H,29,31)(H2,25,27,30)
InChIKeyURNTZQMQVGJQAJ-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.58
Rot. Bonds5

About 2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)benzamide

2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)benzamide (PubChem CID 10364610) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)benzamide.

Molecular Properties

Compound Name2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)benzamide
PubChem CID10364610
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)benzamide
SMILESCC(Nc1ccccc1C(=O)Nc1ccc2c(c1)NCCC2(C)C)c1ccnc(N)n1
InChIInChI=1S/C24H28N6O/c1-15(19-10-12-27-23(25)30-19)28-20-7-5-4-6-17(20)22(31)29-16-8-9-18-21(14-16)26-13-11-24(18,2)3/h4-10,12,14-15,26,28H,11,13H2,1-3H3,(H,29,31)(H2,25,27,30)
InChIKeyURNTZQMQVGJQAJ-UHFFFAOYSA-N
XLogP4.58
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)benzamide with MolForge

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Related Compounds

2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)benzamide
CID 59017466
N-(5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepin-8-yl)-2-fluoropyridine-3-carboxamide
CID 69263023
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 58942005
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498856
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 44525563
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-3,4-dimethylbenzamide;N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3,4-dimethylbenzamide;ethane
CID 143219465
N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide
CID 22249397
N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide
CID 11682965
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-3,4-dimethylbenzamide;7-[1-(3,4-dimethylphenyl)ethenylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one;ethane
CID 143210981
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930393
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498997
1-(4,4-dimethyl-6-phenyl-2,3-dihydro-1H-quinolin-7-yl)ethanone
CID 68789609

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)benzamide?
The IUPAC name of 2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)benzamide (CID 10364610) is 2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)benzamide.
What is the SMILES notation for 2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)benzamide?
The canonical SMILES for 2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)benzamide is CC(Nc1ccccc1C(=O)Nc1ccc2c(c1)NCCC2(C)C)c1ccnc(N)n1.
What is the InChIKey of 2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)benzamide?
The InChIKey is URNTZQMQVGJQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-15(19-10-12-27-23(25)30-19)28-20-7-5-4-6-17(20)22(31)29-16-8-9-18-21(14-16)26-13-11-24(18,2)3/h4-10,12,14-15,26,28H,11,13H2,1-3H3,(H,29,31)(H2,25,27,30).
What are the key properties of 2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)benzamide?
2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)benzamide has a molecular weight of 416.53 g/mol, XLogP of 4.58, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)benzamide is sourced from PubChem (CID 10364610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).