2-(4-morpholin-4-ylcyclohexyl)-6-pyridin-4-ylquinazolin-4-amine

C23H27N5O — CID 121254782

IUPAC2-(4-morpholin-4-ylcyclohexyl)-6-pyridin-4-ylquinazolin-4-amine
SMILESNc1nc(C2CCC(N3CCOCC3)CC2)nc2ccc(-c3ccncc3)cc12
InChIInChI=1S/C23H27N5O/c24-22-20-15-18(16-7-9-25-10-8-16)3-6-21(20)26-23(27-22)17-1-4-19(5-2-17)28-11-13-29-14-12-28/h3,6-10,15,17,19H,1-2,4-5,11-14H2,(H2,24,26,27)
InChIKeyGYYYDQBKDBSPQJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.63
Rot. Bonds3

About 2-(4-morpholin-4-ylcyclohexyl)-6-pyridin-4-ylquinazolin-4-amine

2-(4-morpholin-4-ylcyclohexyl)-6-pyridin-4-ylquinazolin-4-amine (PubChem CID 121254782) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylcyclohexyl)-6-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-morpholin-4-ylcyclohexyl)-6-pyridin-4-ylquinazolin-4-amine
PubChem CID121254782
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-(4-morpholin-4-ylcyclohexyl)-6-pyridin-4-ylquinazolin-4-amine
SMILESNc1nc(C2CCC(N3CCOCC3)CC2)nc2ccc(-c3ccncc3)cc12
InChIInChI=1S/C23H27N5O/c24-22-20-15-18(16-7-9-25-10-8-16)3-6-21(20)26-23(27-22)17-1-4-19(5-2-17)28-11-13-29-14-12-28/h3,6-10,15,17,19H,1-2,4-5,11-14H2,(H2,24,26,27)
InChIKeyGYYYDQBKDBSPQJ-UHFFFAOYSA-N
XLogP3.63
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylcyclohexyl)-6-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of 2-(4-morpholin-4-ylcyclohexyl)-6-pyridin-4-ylquinazolin-4-amine (CID 121254782) is 2-(4-morpholin-4-ylcyclohexyl)-6-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for 2-(4-morpholin-4-ylcyclohexyl)-6-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for 2-(4-morpholin-4-ylcyclohexyl)-6-pyridin-4-ylquinazolin-4-amine is Nc1nc(C2CCC(N3CCOCC3)CC2)nc2ccc(-c3ccncc3)cc12.
What is the InChIKey of 2-(4-morpholin-4-ylcyclohexyl)-6-pyridin-4-ylquinazolin-4-amine?
The InChIKey is GYYYDQBKDBSPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c24-22-20-15-18(16-7-9-25-10-8-16)3-6-21(20)26-23(27-22)17-1-4-19(5-2-17)28-11-13-29-14-12-28/h3,6-10,15,17,19H,1-2,4-5,11-14H2,(H2,24,26,27).
What are the key properties of 2-(4-morpholin-4-ylcyclohexyl)-6-pyridin-4-ylquinazolin-4-amine?
2-(4-morpholin-4-ylcyclohexyl)-6-pyridin-4-ylquinazolin-4-amine has a molecular weight of 389.50 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylcyclohexyl)-6-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 121254782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).