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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Related Compounds

ethyl 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetate
CID 52919528
3-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 59483570
[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-benzylazanium
CID 163575598
[2-amino-6-[2-(aminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
CID 59483557
(2-amino-6-ethenylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 59483438
(2-amino-6-pyridin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 25161019
2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-3-methylbutanoic acid;2-bromopropane;ethyl 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetate
CID 158040909
1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]cyclopentane-1-carboxylic acid
CID 52939547
[2-amino-6-[4,5-difluoro-2-(2H-tetrazol-5-ylmethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
CID 134130489
(2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 59483481
2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]benzoic acid;cyclopentane
CID 123346237
[2-amino-6-[2-[(2,5-dimethylpyrrolidin-1-yl)methyl]-4,5-difluorophenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
CID 56943579

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).