4-[(4-pyrrolidin-1-ylcyclohexyl)amino]quinazoline-6-carbonitrile

C19H23N5 — CID 125495464

IUPAC4-[(4-pyrrolidin-1-ylcyclohexyl)amino]quinazoline-6-carbonitrile
SMILESN#Cc1ccc2ncnc(NC3CCC(N4CCCC4)CC3)c2c1
InChIInChI=1S/C19H23N5/c20-12-14-3-8-18-17(11-14)19(22-13-21-18)23-15-4-6-16(7-5-15)24-9-1-2-10-24/h3,8,11,13,15-16H,1-2,4-7,9-10H2,(H,21,22,23)
InChIKeyBSPDIFWVOYZERR-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.32
Rot. Bonds3

About 4-[(4-pyrrolidin-1-ylcyclohexyl)amino]quinazoline-6-carbonitrile

4-[(4-pyrrolidin-1-ylcyclohexyl)amino]quinazoline-6-carbonitrile (PubChem CID 125495464) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-[(4-pyrrolidin-1-ylcyclohexyl)amino]quinazoline-6-carbonitrile.

Molecular Properties

Compound Name4-[(4-pyrrolidin-1-ylcyclohexyl)amino]quinazoline-6-carbonitrile
PubChem CID125495464
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name4-[(4-pyrrolidin-1-ylcyclohexyl)amino]quinazoline-6-carbonitrile
SMILESN#Cc1ccc2ncnc(NC3CCC(N4CCCC4)CC3)c2c1
InChIInChI=1S/C19H23N5/c20-12-14-3-8-18-17(11-14)19(22-13-21-18)23-15-4-6-16(7-5-15)24-9-1-2-10-24/h3,8,11,13,15-16H,1-2,4-7,9-10H2,(H,21,22,23)
InChIKeyBSPDIFWVOYZERR-UHFFFAOYSA-N
XLogP3.32
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyrrolidin-1-ylcyclohexyl)amino]quinazoline-6-carbonitrile?
The IUPAC name of 4-[(4-pyrrolidin-1-ylcyclohexyl)amino]quinazoline-6-carbonitrile (CID 125495464) is 4-[(4-pyrrolidin-1-ylcyclohexyl)amino]quinazoline-6-carbonitrile.
What is the SMILES notation for 4-[(4-pyrrolidin-1-ylcyclohexyl)amino]quinazoline-6-carbonitrile?
The canonical SMILES for 4-[(4-pyrrolidin-1-ylcyclohexyl)amino]quinazoline-6-carbonitrile is N#Cc1ccc2ncnc(NC3CCC(N4CCCC4)CC3)c2c1.
What is the InChIKey of 4-[(4-pyrrolidin-1-ylcyclohexyl)amino]quinazoline-6-carbonitrile?
The InChIKey is BSPDIFWVOYZERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c20-12-14-3-8-18-17(11-14)19(22-13-21-18)23-15-4-6-16(7-5-15)24-9-1-2-10-24/h3,8,11,13,15-16H,1-2,4-7,9-10H2,(H,21,22,23).
What are the key properties of 4-[(4-pyrrolidin-1-ylcyclohexyl)amino]quinazoline-6-carbonitrile?
4-[(4-pyrrolidin-1-ylcyclohexyl)amino]quinazoline-6-carbonitrile has a molecular weight of 321.43 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyrrolidin-1-ylcyclohexyl)amino]quinazoline-6-carbonitrile is sourced from PubChem (CID 125495464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).