N-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide

C17H14N4O — CID 140575355

IUPACN-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide
SMILESO=C(NC1(c2ccccn2)CC1)c1cccc2cncnc12
InChIInChI=1S/C17H14N4O/c22-16(13-5-3-4-12-10-18-11-20-15(12)13)21-17(7-8-17)14-6-1-2-9-19-14/h1-6,9-11H,7-8H2,(H,21,22)
InChIKeySUNLYDINKVVFRF-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.44
Rot. Bonds3

About N-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide

N-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide (PubChem CID 140575355) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide
PubChem CID140575355
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC NameN-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide
SMILESO=C(NC1(c2ccccn2)CC1)c1cccc2cncnc12
InChIInChI=1S/C17H14N4O/c22-16(13-5-3-4-12-10-18-11-20-15(12)13)21-17(7-8-17)14-6-1-2-9-19-14/h1-6,9-11H,7-8H2,(H,21,22)
InChIKeySUNLYDINKVVFRF-UHFFFAOYSA-N
XLogP2.44
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide?
The IUPAC name of N-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide (CID 140575355) is N-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide.
What is the SMILES notation for N-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide?
The canonical SMILES for N-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide is O=C(NC1(c2ccccn2)CC1)c1cccc2cncnc12.
What is the InChIKey of N-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide?
The InChIKey is SUNLYDINKVVFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c22-16(13-5-3-4-12-10-18-11-20-15(12)13)21-17(7-8-17)14-6-1-2-9-19-14/h1-6,9-11H,7-8H2,(H,21,22).
What are the key properties of N-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide?
N-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylcyclopropyl)quinazoline-8-carboxamide is sourced from PubChem (CID 140575355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).