7-ethyl-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine

C23H36N6O — CID 155557402

IUPAC7-ethyl-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
SMILESCCc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C23H36N6O/c1-5-17-15-20-19(16-21(17)30-4)22(24-18-7-11-28(3)12-8-18)26-23(25-20)29-10-6-9-27(2)13-14-29/h15-16,18H,5-14H2,1-4H3,(H,24,25,26)
InChIKeySEIITEYCJLDVFW-UHFFFAOYSA-N
MW412.58 g/mol
LogP2.85
Rot. Bonds5

About 7-ethyl-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine

7-ethyl-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine (PubChem CID 155557402) has the molecular formula C23H36N6O and a molecular weight of 412.58 g/mol. Its IUPAC name is 7-ethyl-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name7-ethyl-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
PubChem CID155557402
Molecular FormulaC23H36N6O
Molecular Weight412.58 g/mol
Exact Mass412.30
IUPAC Name7-ethyl-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
SMILESCCc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C23H36N6O/c1-5-17-15-20-19(16-21(17)30-4)22(24-18-7-11-28(3)12-8-18)26-23(25-20)29-10-6-9-27(2)13-14-29/h15-16,18H,5-14H2,1-4H3,(H,24,25,26)
InChIKeySEIITEYCJLDVFW-UHFFFAOYSA-N
XLogP2.85
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine?
The IUPAC name of 7-ethyl-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine (CID 155557402) is 7-ethyl-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine.
What is the SMILES notation for 7-ethyl-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine?
The canonical SMILES for 7-ethyl-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine is CCc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2cc1OC.
What is the InChIKey of 7-ethyl-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine?
The InChIKey is SEIITEYCJLDVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O/c1-5-17-15-20-19(16-21(17)30-4)22(24-18-7-11-28(3)12-8-18)26-23(25-20)29-10-6-9-27(2)13-14-29/h15-16,18H,5-14H2,1-4H3,(H,24,25,26).
What are the key properties of 7-ethyl-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine?
7-ethyl-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine has a molecular weight of 412.58 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine is sourced from PubChem (CID 155557402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).