2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetamide

C19H17N5O2 — CID 52938192

IUPAC2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetamide
SMILESNC(=O)Cc1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1
InChIInChI=1S/C19H17N5O2/c20-16(25)8-11-5-6-15-14(7-11)17(23-19(21)22-15)18(26)24-9-12-3-1-2-4-13(12)10-24/h1-7H,8-10H2,(H2,20,25)(H2,21,22,23)
InChIKeyJANRIOJDNIASGB-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.40
Rot. Bonds3

About 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetamide

2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetamide (PubChem CID 52938192) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetamide.

Molecular Properties

Compound Name2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetamide
PubChem CID52938192
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetamide
SMILESNC(=O)Cc1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1
InChIInChI=1S/C19H17N5O2/c20-16(25)8-11-5-6-15-14(7-11)17(23-19(21)22-15)18(26)24-9-12-3-1-2-4-13(12)10-24/h1-7H,8-10H2,(H2,20,25)(H2,21,22,23)
InChIKeyJANRIOJDNIASGB-UHFFFAOYSA-N
XLogP1.40
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetamide?
The IUPAC name of 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetamide (CID 52938192) is 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetamide.
What is the SMILES notation for 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetamide?
The canonical SMILES for 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetamide is NC(=O)Cc1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1.
What is the InChIKey of 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetamide?
The InChIKey is JANRIOJDNIASGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c20-16(25)8-11-5-6-15-14(7-11)17(23-19(21)22-15)18(26)24-9-12-3-1-2-4-13(12)10-24/h1-7H,8-10H2,(H2,20,25)(H2,21,22,23).
What are the key properties of 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetamide?
2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetamide has a molecular weight of 347.38 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetamide is sourced from PubChem (CID 52938192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).