2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide

C23H19N5O — CID 109308071

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccnc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C23H19N5O/c29-22(26-19-9-3-7-17-8-4-12-24-21(17)19)20-10-13-25-23(27-20)28-14-11-16-5-1-2-6-18(16)15-28/h1-10,12-13H,11,14-15H2,(H,26,29)
InChIKeyNUZKGWWKWWDMGV-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.84
Rot. Bonds3

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 109308071) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID109308071
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccnc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C23H19N5O/c29-22(26-19-9-3-7-17-8-4-12-24-21(17)19)20-10-13-25-23(27-20)28-14-11-16-5-1-2-6-18(16)15-28/h1-10,12-13H,11,14-15H2,(H,26,29)
InChIKeyNUZKGWWKWWDMGV-UHFFFAOYSA-N
XLogP3.84
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mocetinostat
CID 9865515
Jnk-IN-8
CID 57340686
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CID 15991575
4-methyl-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)benzamide
CID 11678175
3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide
CID 122689236
(3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one
CID 155289199
Jnk-IN-9
CID 57340687
3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 68162802
N-[2-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 76335931
N-(1,10-phenanthrolin-2-yl)benzamide
CID 463101
2-(4-Methylphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]quinoline
CID 2093195
4-methyl-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}cyclohexane-1-carboxamide
CID 4244680

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 109308071) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide is O=C(Nc1cccc2cccnc12)c1ccnc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is NUZKGWWKWWDMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c29-22(26-19-9-3-7-17-8-4-12-24-21(17)19)20-10-13-25-23(27-20)28-14-11-16-5-1-2-6-18(16)15-28/h1-10,12-13H,11,14-15H2,(H,26,29).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109308071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).