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

C18H27N5O2 — CID 53315450

IUPACN-ethyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
SMILESCCNc1nc(N2CCCN(C)CC2)nc2cc(OC)c(OC)cc12
InChIInChI=1S/C18H27N5O2/c1-5-19-17-13-11-15(24-3)16(25-4)12-14(13)20-18(21-17)23-8-6-7-22(2)9-10-23/h11-12H,5-10H2,1-4H3,(H,19,20,21)
InChIKeyZPGSQOKCCPVAQI-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.22
Rot. Bonds5

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

N-ethyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine (PubChem CID 53315450) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-ethyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
PubChem CID53315450
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-ethyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
SMILESCCNc1nc(N2CCCN(C)CC2)nc2cc(OC)c(OC)cc12
InChIInChI=1S/C18H27N5O2/c1-5-19-17-13-11-15(24-3)16(25-4)12-14(13)20-18(21-17)23-8-6-7-22(2)9-10-23/h11-12H,5-10H2,1-4H3,(H,19,20,21)
InChIKeyZPGSQOKCCPVAQI-UHFFFAOYSA-N
XLogP2.22
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine?
The IUPAC name of N-ethyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine (CID 53315450) is N-ethyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-ethyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine?
The canonical SMILES for N-ethyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine is CCNc1nc(N2CCCN(C)CC2)nc2cc(OC)c(OC)cc12.
What is the InChIKey of N-ethyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine?
The InChIKey is ZPGSQOKCCPVAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-5-19-17-13-11-15(24-3)16(25-4)12-14(13)20-18(21-17)23-8-6-7-22(2)9-10-23/h11-12H,5-10H2,1-4H3,(H,19,20,21).
What are the key properties of N-ethyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine?
N-ethyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine has a molecular weight of 345.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine is sourced from PubChem (CID 53315450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).