(2-amino-7-chloroquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone;ethane

C21H25ClN4O — CID 143745281

IUPAC(2-amino-7-chloroquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone;ethane
SMILESCC.CC.Nc1nc(C(=O)N2Cc3ccccc3C2)c2ccc(Cl)cc2n1
InChIInChI=1S/C17H13ClN4O.2C2H6/c18-12-5-6-13-14(7-12)20-17(19)21-15(13)16(23)22-8-10-3-1-2-4-11(10)9-22;2*1-2/h1-7H,8-9H2,(H2,19,20,21);2*1-2H3
InChIKeyLIIOLKODMUKXPW-UHFFFAOYSA-N
MW384.91 g/mol
LogP5.07
Rot. Bonds1

About (2-amino-7-chloroquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone;ethane

(2-amino-7-chloroquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone;ethane (PubChem CID 143745281) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is (2-amino-7-chloroquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone;ethane.

Molecular Properties

Compound Name(2-amino-7-chloroquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone;ethane
PubChem CID143745281
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name(2-amino-7-chloroquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone;ethane
SMILESCC.CC.Nc1nc(C(=O)N2Cc3ccccc3C2)c2ccc(Cl)cc2n1
InChIInChI=1S/C17H13ClN4O.2C2H6/c18-12-5-6-13-14(7-12)20-17(19)21-15(13)16(23)22-8-10-3-1-2-4-11(10)9-22;2*1-2/h1-7H,8-9H2,(H2,19,20,21);2*1-2H3
InChIKeyLIIOLKODMUKXPW-UHFFFAOYSA-N
XLogP5.07
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.91
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-7-chloroquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone;ethane?
The IUPAC name of (2-amino-7-chloroquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone;ethane (CID 143745281) is (2-amino-7-chloroquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone;ethane.
What is the SMILES notation for (2-amino-7-chloroquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone;ethane?
The canonical SMILES for (2-amino-7-chloroquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone;ethane is CC.CC.Nc1nc(C(=O)N2Cc3ccccc3C2)c2ccc(Cl)cc2n1.
What is the InChIKey of (2-amino-7-chloroquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone;ethane?
The InChIKey is LIIOLKODMUKXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O.2C2H6/c18-12-5-6-13-14(7-12)20-17(19)21-15(13)16(23)22-8-10-3-1-2-4-11(10)9-22;2*1-2/h1-7H,8-9H2,(H2,19,20,21);2*1-2H3.
What are the key properties of (2-amino-7-chloroquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone;ethane?
(2-amino-7-chloroquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone;ethane has a molecular weight of 384.91 g/mol, XLogP of 5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-7-chloroquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone;ethane is sourced from PubChem (CID 143745281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).