2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide

C23H25N5O2 — CID 58082700

IUPAC2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide
SMILESO=C(NC1(c2ccncc2)CC1)c1cccc2cnc(NC3CCC(O)CC3)nc12
InChIInChI=1S/C23H25N5O2/c29-18-6-4-17(5-7-18)26-22-25-14-15-2-1-3-19(20(15)27-22)21(30)28-23(10-11-23)16-8-12-24-13-9-16/h1-3,8-9,12-14,17-18,29H,4-7,10-11H2,(H,28,30)(H,25,26,27)
InChIKeyJPDZFOAOGFXODT-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.16
Rot. Bonds5

About 2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide

2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide (PubChem CID 58082700) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide
PubChem CID58082700
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide
SMILESO=C(NC1(c2ccncc2)CC1)c1cccc2cnc(NC3CCC(O)CC3)nc12
InChIInChI=1S/C23H25N5O2/c29-18-6-4-17(5-7-18)26-22-25-14-15-2-1-3-19(20(15)27-22)21(30)28-23(10-11-23)16-8-12-24-13-9-16/h1-3,8-9,12-14,17-18,29H,4-7,10-11H2,(H,28,30)(H,25,26,27)
InChIKeyJPDZFOAOGFXODT-UHFFFAOYSA-N
XLogP3.16
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide (CID 58082700) is 2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide is O=C(NC1(c2ccncc2)CC1)c1cccc2cnc(NC3CCC(O)CC3)nc12.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide?
The InChIKey is JPDZFOAOGFXODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-18-6-4-17(5-7-18)26-22-25-14-15-2-1-3-19(20(15)27-22)21(30)28-23(10-11-23)16-8-12-24-13-9-16/h1-3,8-9,12-14,17-18,29H,4-7,10-11H2,(H,28,30)(H,25,26,27).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide?
2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide is sourced from PubChem (CID 58082700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).