4-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]-1-propan-2-ylcyclohexan-1-amine

C23H28N4 — CID 69466446

IUPAC4-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]-1-propan-2-ylcyclohexan-1-amine
SMILESCc1ccncc1-c1ccc2nc(C3CCC(N)(C(C)C)CC3)ncc2c1
InChIInChI=1S/C23H28N4/c1-15(2)23(24)9-6-17(7-10-23)22-26-13-19-12-18(4-5-21(19)27-22)20-14-25-11-8-16(20)3/h4-5,8,11-15,17H,6-7,9-10,24H2,1-3H3
InChIKeyIQHYIORYFGAPJK-UHFFFAOYSA-N
MW360.51 g/mol
LogP5.01
Rot. Bonds3

About 4-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]-1-propan-2-ylcyclohexan-1-amine

4-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]-1-propan-2-ylcyclohexan-1-amine (PubChem CID 69466446) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is 4-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]-1-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]-1-propan-2-ylcyclohexan-1-amine
PubChem CID69466446
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC Name4-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]-1-propan-2-ylcyclohexan-1-amine
SMILESCc1ccncc1-c1ccc2nc(C3CCC(N)(C(C)C)CC3)ncc2c1
InChIInChI=1S/C23H28N4/c1-15(2)23(24)9-6-17(7-10-23)22-26-13-19-12-18(4-5-21(19)27-22)20-14-25-11-8-16(20)3/h4-5,8,11-15,17H,6-7,9-10,24H2,1-3H3
InChIKeyIQHYIORYFGAPJK-UHFFFAOYSA-N
XLogP5.01
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]-1-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 4-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]-1-propan-2-ylcyclohexan-1-amine (CID 69466446) is 4-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]-1-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 4-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]-1-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 4-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]-1-propan-2-ylcyclohexan-1-amine is Cc1ccncc1-c1ccc2nc(C3CCC(N)(C(C)C)CC3)ncc2c1.
What is the InChIKey of 4-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]-1-propan-2-ylcyclohexan-1-amine?
The InChIKey is IQHYIORYFGAPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-15(2)23(24)9-6-17(7-10-23)22-26-13-19-12-18(4-5-21(19)27-22)20-14-25-11-8-16(20)3/h4-5,8,11-15,17H,6-7,9-10,24H2,1-3H3.
What are the key properties of 4-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]-1-propan-2-ylcyclohexan-1-amine?
4-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]-1-propan-2-ylcyclohexan-1-amine has a molecular weight of 360.51 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]-1-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 69466446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).