2-N-(1,3-benzodioxol-5-yl)-4-N-cyclopentylquinazoline-2,4-diamine

C20H20N4O2 — CID 2225836

IUPAC2-N-(1,3-benzodioxol-5-yl)-4-N-cyclopentylquinazoline-2,4-diamine
SMILESc1ccc2c(NC3CCCC3)nc(Nc3ccc4c(c3)OCO4)nc2c1
InChIInChI=1S/C20H20N4O2/c1-2-6-13(5-1)21-19-15-7-3-4-8-16(15)23-20(24-19)22-14-9-10-17-18(11-14)26-12-25-17/h3-4,7-11,13H,1-2,5-6,12H2,(H2,21,22,23,24)
InChIKeyMCJCJHXLJUEWJB-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.46
Rot. Bonds4

About 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclopentylquinazoline-2,4-diamine

2-N-(1,3-benzodioxol-5-yl)-4-N-cyclopentylquinazoline-2,4-diamine (PubChem CID 2225836) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclopentylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,3-benzodioxol-5-yl)-4-N-cyclopentylquinazoline-2,4-diamine
PubChem CID2225836
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-N-(1,3-benzodioxol-5-yl)-4-N-cyclopentylquinazoline-2,4-diamine
SMILESc1ccc2c(NC3CCCC3)nc(Nc3ccc4c(c3)OCO4)nc2c1
InChIInChI=1S/C20H20N4O2/c1-2-6-13(5-1)21-19-15-7-3-4-8-16(15)23-20(24-19)22-14-9-10-17-18(11-14)26-12-25-17/h3-4,7-11,13H,1-2,5-6,12H2,(H2,21,22,23,24)
InChIKeyMCJCJHXLJUEWJB-UHFFFAOYSA-N
XLogP4.46
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Trimetrexate
CID 5583
2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
CID 616267
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
N-(3-Iodophyenyl)-6,7-dimethoxyoxy-4-quinazolina
CID 5328201
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 25150857
2-Cyclohexyl-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamine
CID 46224516
Cct-241533
CID 135564841
Whi-p131
CID 3794
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
4-(3-Hydroxyanilino)-6,7-Dimethoxyquinazoline
CID 5687
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877
11N-112
CID 1474883

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclopentylquinazoline-2,4-diamine?
The IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclopentylquinazoline-2,4-diamine (CID 2225836) is 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclopentylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclopentylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclopentylquinazoline-2,4-diamine is c1ccc2c(NC3CCCC3)nc(Nc3ccc4c(c3)OCO4)nc2c1.
What is the InChIKey of 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclopentylquinazoline-2,4-diamine?
The InChIKey is MCJCJHXLJUEWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-6-13(5-1)21-19-15-7-3-4-8-16(15)23-20(24-19)22-14-9-10-17-18(11-14)26-12-25-17/h3-4,7-11,13H,1-2,5-6,12H2,(H2,21,22,23,24).
What are the key properties of 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclopentylquinazoline-2,4-diamine?
2-N-(1,3-benzodioxol-5-yl)-4-N-cyclopentylquinazoline-2,4-diamine has a molecular weight of 348.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzodioxol-5-yl)-4-N-cyclopentylquinazoline-2,4-diamine is sourced from PubChem (CID 2225836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).