N-pyrimidin-2-ylquinoline-8-carboxamide

C14H10N4O — CID 175780986

IUPACN-pyrimidin-2-ylquinoline-8-carboxamide
SMILESO=C(Nc1ncccn1)c1cccc2cccnc12
InChIInChI=1S/C14H10N4O/c19-13(18-14-16-8-3-9-17-14)11-6-1-4-10-5-2-7-15-12(10)11/h1-9H,(H,16,17,18,19)
InChIKeyYUFHWAFGKJURJO-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.28
Rot. Bonds2

About N-pyrimidin-2-ylquinoline-8-carboxamide

N-pyrimidin-2-ylquinoline-8-carboxamide (PubChem CID 175780986) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-pyrimidin-2-ylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-pyrimidin-2-ylquinoline-8-carboxamide
PubChem CID175780986
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC NameN-pyrimidin-2-ylquinoline-8-carboxamide
SMILESO=C(Nc1ncccn1)c1cccc2cccnc12
InChIInChI=1S/C14H10N4O/c19-13(18-14-16-8-3-9-17-14)11-6-1-4-10-5-2-7-15-12(10)11/h1-9H,(H,16,17,18,19)
InChIKeyYUFHWAFGKJURJO-UHFFFAOYSA-N
XLogP2.28
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)quinoline-8-carboxamide
CID 60651885
N-(3-acetamidophenyl)quinoline-8-carboxamide
CID 9206616
N-(3-methylphenyl)quinoline-8-carboxamide
CID 30267656
N-(2,3-dimethylphenyl)quinoline-8-carboxamide
CID 30267815
N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide
CID 61497887
N-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide
CID 134009435
palladium;quinoline-8-carboxylic acid
CID 174945118
N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide
CID 114307205
N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide
CID 82863638
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide
CID 51300002

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-ylquinoline-8-carboxamide?
The IUPAC name of N-pyrimidin-2-ylquinoline-8-carboxamide (CID 175780986) is N-pyrimidin-2-ylquinoline-8-carboxamide.
What is the SMILES notation for N-pyrimidin-2-ylquinoline-8-carboxamide?
The canonical SMILES for N-pyrimidin-2-ylquinoline-8-carboxamide is O=C(Nc1ncccn1)c1cccc2cccnc12.
What is the InChIKey of N-pyrimidin-2-ylquinoline-8-carboxamide?
The InChIKey is YUFHWAFGKJURJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c19-13(18-14-16-8-3-9-17-14)11-6-1-4-10-5-2-7-15-12(10)11/h1-9H,(H,16,17,18,19).
What are the key properties of N-pyrimidin-2-ylquinoline-8-carboxamide?
N-pyrimidin-2-ylquinoline-8-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-ylquinoline-8-carboxamide is sourced from PubChem (CID 175780986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).