N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine

C19H27N5O2 — CID 139592905

IUPACN-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
SMILESCCN1CCN(c2nc(NC3CC3)c3cc(OC)c(OC)cc3n2)CC1
InChIInChI=1S/C19H27N5O2/c1-4-23-7-9-24(10-8-23)19-21-15-12-17(26-3)16(25-2)11-14(15)18(22-19)20-13-5-6-13/h11-13H,4-10H2,1-3H3,(H,20,21,22)
InChIKeyHFCZMIBMQCFLBA-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.36
Rot. Bonds6

About N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine

N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 139592905) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
PubChem CID139592905
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
SMILESCCN1CCN(c2nc(NC3CC3)c3cc(OC)c(OC)cc3n2)CC1
InChIInChI=1S/C19H27N5O2/c1-4-23-7-9-24(10-8-23)19-21-15-12-17(26-3)16(25-2)11-14(15)18(22-19)20-13-5-6-13/h11-13H,4-10H2,1-3H3,(H,20,21,22)
InChIKeyHFCZMIBMQCFLBA-UHFFFAOYSA-N
XLogP2.36
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine (CID 139592905) is N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine is CCN1CCN(c2nc(NC3CC3)c3cc(OC)c(OC)cc3n2)CC1.
What is the InChIKey of N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is HFCZMIBMQCFLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-4-23-7-9-24(10-8-23)19-21-15-12-17(26-3)16(25-2)11-14(15)18(22-19)20-13-5-6-13/h11-13H,4-10H2,1-3H3,(H,20,21,22).
What are the key properties of N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine?
N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 357.46 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 139592905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).