N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C19H22N4O2 — CID 84593131

IUPACN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCc1ccnc(C(NC(=O)c2cc3c([nH]c2=O)CCCC3)C2CC2)n1
InChIInChI=1S/C19H22N4O2/c1-11-8-9-20-17(21-11)16(12-6-7-12)23-19(25)14-10-13-4-2-3-5-15(13)22-18(14)24/h8-10,12,16H,2-7H2,1H3,(H,22,24)(H,23,25)
InChIKeyPVMJZVUVVHMUSW-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.23
Rot. Bonds4

About N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 84593131) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID84593131
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCc1ccnc(C(NC(=O)c2cc3c([nH]c2=O)CCCC3)C2CC2)n1
InChIInChI=1S/C19H22N4O2/c1-11-8-9-20-17(21-11)16(12-6-7-12)23-19(25)14-10-13-4-2-3-5-15(13)22-18(14)24/h8-10,12,16H,2-7H2,1H3,(H,22,24)(H,23,25)
InChIKeyPVMJZVUVVHMUSW-UHFFFAOYSA-N
XLogP2.23
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 84593131) is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is Cc1ccnc(C(NC(=O)c2cc3c([nH]c2=O)CCCC3)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is PVMJZVUVVHMUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-11-8-9-20-17(21-11)16(12-6-7-12)23-19(25)14-10-13-4-2-3-5-15(13)22-18(14)24/h8-10,12,16H,2-7H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 84593131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).