2-cyclohexyl-7-N-[2-(dimethylamino)ethyl]-6-methoxy-4-N-(1-propan-2-ylpiperidin-4-yl)quinazoline-4,7-diamine

C27H44N6O — CID 155553711

IUPAC2-cyclohexyl-7-N-[2-(dimethylamino)ethyl]-6-methoxy-4-N-(1-propan-2-ylpiperidin-4-yl)quinazoline-4,7-diamine
SMILESCOc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1NCCN(C)C
InChIInChI=1S/C27H44N6O/c1-19(2)33-14-11-21(12-15-33)29-27-22-17-25(34-5)24(28-13-16-32(3)4)18-23(22)30-26(31-27)20-9-7-6-8-10-20/h17-21,28H,6-16H2,1-5H3,(H,29,30,31)
InChIKeySQELADKJRAEXMJ-UHFFFAOYSA-N
MW468.69 g/mol
LogP4.94
Rot. Bonds9

About 2-cyclohexyl-7-N-[2-(dimethylamino)ethyl]-6-methoxy-4-N-(1-propan-2-ylpiperidin-4-yl)quinazoline-4,7-diamine

2-cyclohexyl-7-N-[2-(dimethylamino)ethyl]-6-methoxy-4-N-(1-propan-2-ylpiperidin-4-yl)quinazoline-4,7-diamine (PubChem CID 155553711) has the molecular formula C27H44N6O and a molecular weight of 468.69 g/mol. Its IUPAC name is 2-cyclohexyl-7-N-[2-(dimethylamino)ethyl]-6-methoxy-4-N-(1-propan-2-ylpiperidin-4-yl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name2-cyclohexyl-7-N-[2-(dimethylamino)ethyl]-6-methoxy-4-N-(1-propan-2-ylpiperidin-4-yl)quinazoline-4,7-diamine
PubChem CID155553711
Molecular FormulaC27H44N6O
Molecular Weight468.69 g/mol
Exact Mass468.36
IUPAC Name2-cyclohexyl-7-N-[2-(dimethylamino)ethyl]-6-methoxy-4-N-(1-propan-2-ylpiperidin-4-yl)quinazoline-4,7-diamine
SMILESCOc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1NCCN(C)C
InChIInChI=1S/C27H44N6O/c1-19(2)33-14-11-21(12-15-33)29-27-22-17-25(34-5)24(28-13-16-32(3)4)18-23(22)30-26(31-27)20-9-7-6-8-10-20/h17-21,28H,6-16H2,1-5H3,(H,29,30,31)
InChIKeySQELADKJRAEXMJ-UHFFFAOYSA-N
XLogP4.94
TPSA65.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.69
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-cyclohexyl-7-N-[2-(dimethylamino)ethyl]-6-methoxy-4-N-(1-propan-2-ylpiperidin-4-yl)quinazoline-4,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-7-N-[2-(dimethylamino)ethyl]-6-methoxy-4-N-(1-propan-2-ylpiperidin-4-yl)quinazoline-4,7-diamine?
The IUPAC name of 2-cyclohexyl-7-N-[2-(dimethylamino)ethyl]-6-methoxy-4-N-(1-propan-2-ylpiperidin-4-yl)quinazoline-4,7-diamine (CID 155553711) is 2-cyclohexyl-7-N-[2-(dimethylamino)ethyl]-6-methoxy-4-N-(1-propan-2-ylpiperidin-4-yl)quinazoline-4,7-diamine.
What is the SMILES notation for 2-cyclohexyl-7-N-[2-(dimethylamino)ethyl]-6-methoxy-4-N-(1-propan-2-ylpiperidin-4-yl)quinazoline-4,7-diamine?
The canonical SMILES for 2-cyclohexyl-7-N-[2-(dimethylamino)ethyl]-6-methoxy-4-N-(1-propan-2-ylpiperidin-4-yl)quinazoline-4,7-diamine is COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1NCCN(C)C.
What is the InChIKey of 2-cyclohexyl-7-N-[2-(dimethylamino)ethyl]-6-methoxy-4-N-(1-propan-2-ylpiperidin-4-yl)quinazoline-4,7-diamine?
The InChIKey is SQELADKJRAEXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N6O/c1-19(2)33-14-11-21(12-15-33)29-27-22-17-25(34-5)24(28-13-16-32(3)4)18-23(22)30-26(31-27)20-9-7-6-8-10-20/h17-21,28H,6-16H2,1-5H3,(H,29,30,31).
What are the key properties of 2-cyclohexyl-7-N-[2-(dimethylamino)ethyl]-6-methoxy-4-N-(1-propan-2-ylpiperidin-4-yl)quinazoline-4,7-diamine?
2-cyclohexyl-7-N-[2-(dimethylamino)ethyl]-6-methoxy-4-N-(1-propan-2-ylpiperidin-4-yl)quinazoline-4,7-diamine has a molecular weight of 468.69 g/mol, XLogP of 4.94, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-7-N-[2-(dimethylamino)ethyl]-6-methoxy-4-N-(1-propan-2-ylpiperidin-4-yl)quinazoline-4,7-diamine is sourced from PubChem (CID 155553711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).