1-(2-cyclopropylpyrimidine-4-carbonyl)-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-2-carboxamide

C25H24N4O2 — CID 86939370

IUPAC1-(2-cyclopropylpyrimidine-4-carbonyl)-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESCc1ccccc1NC(=O)C1CCc2ccccc2N1C(=O)c1ccnc(C2CC2)n1
InChIInChI=1S/C25H24N4O2/c1-16-6-2-4-8-19(16)28-24(30)22-13-12-17-7-3-5-9-21(17)29(22)25(31)20-14-15-26-23(27-20)18-10-11-18/h2-9,14-15,18,22H,10-13H2,1H3,(H,28,30)
InChIKeyPXTOXWFOVKDKMB-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.26
Rot. Bonds4

About 1-(2-cyclopropylpyrimidine-4-carbonyl)-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-2-carboxamide

1-(2-cyclopropylpyrimidine-4-carbonyl)-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-2-carboxamide (PubChem CID 86939370) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-(2-cyclopropylpyrimidine-4-carbonyl)-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-2-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopropylpyrimidine-4-carbonyl)-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-2-carboxamide
PubChem CID86939370
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name1-(2-cyclopropylpyrimidine-4-carbonyl)-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESCc1ccccc1NC(=O)C1CCc2ccccc2N1C(=O)c1ccnc(C2CC2)n1
InChIInChI=1S/C25H24N4O2/c1-16-6-2-4-8-19(16)28-24(30)22-13-12-17-7-3-5-9-21(17)29(22)25(31)20-14-15-26-23(27-20)18-10-11-18/h2-9,14-15,18,22H,10-13H2,1H3,(H,28,30)
InChIKeyPXTOXWFOVKDKMB-UHFFFAOYSA-N
XLogP4.26
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpyrimidine-4-carbonyl)-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
The IUPAC name of 1-(2-cyclopropylpyrimidine-4-carbonyl)-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-2-carboxamide (CID 86939370) is 1-(2-cyclopropylpyrimidine-4-carbonyl)-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-2-carboxamide.
What is the SMILES notation for 1-(2-cyclopropylpyrimidine-4-carbonyl)-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
The canonical SMILES for 1-(2-cyclopropylpyrimidine-4-carbonyl)-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-2-carboxamide is Cc1ccccc1NC(=O)C1CCc2ccccc2N1C(=O)c1ccnc(C2CC2)n1.
What is the InChIKey of 1-(2-cyclopropylpyrimidine-4-carbonyl)-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
The InChIKey is PXTOXWFOVKDKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-16-6-2-4-8-19(16)28-24(30)22-13-12-17-7-3-5-9-21(17)29(22)25(31)20-14-15-26-23(27-20)18-10-11-18/h2-9,14-15,18,22H,10-13H2,1H3,(H,28,30).
What are the key properties of 1-(2-cyclopropylpyrimidine-4-carbonyl)-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
1-(2-cyclopropylpyrimidine-4-carbonyl)-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpyrimidine-4-carbonyl)-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-2-carboxamide is sourced from PubChem (CID 86939370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).