N-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide

C19H18N4O2 — CID 138051189

IUPACN-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3nc(C)cc(C4CC4)n3)cnc2c1
InChIInChI=1S/C19H18N4O2/c1-11-7-17(12-3-4-12)22-19(21-11)23-18(24)14-8-13-5-6-15(25-2)9-16(13)20-10-14/h5-10,12H,3-4H2,1-2H3,(H,21,22,23,24)
InChIKeyQZUCCSTUABUFDY-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.47
Rot. Bonds4

About N-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide

N-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide (PubChem CID 138051189) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide
PubChem CID138051189
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3nc(C)cc(C4CC4)n3)cnc2c1
InChIInChI=1S/C19H18N4O2/c1-11-7-17(12-3-4-12)22-19(21-11)23-18(24)14-8-13-5-6-15(25-2)9-16(13)20-10-14/h5-10,12H,3-4H2,1-2H3,(H,21,22,23,24)
InChIKeyQZUCCSTUABUFDY-UHFFFAOYSA-N
XLogP3.47
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide?
The IUPAC name of N-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide (CID 138051189) is N-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide is COc1ccc2cc(C(=O)Nc3nc(C)cc(C4CC4)n3)cnc2c1.
What is the InChIKey of N-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide?
The InChIKey is QZUCCSTUABUFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-11-7-17(12-3-4-12)22-19(21-11)23-18(24)14-8-13-5-6-15(25-2)9-16(13)20-10-14/h5-10,12H,3-4H2,1-2H3,(H,21,22,23,24).
What are the key properties of N-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide?
N-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 138051189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).