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

C23H22N4O5 — CID 67154039

IUPAC[2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]oxan-4-yl] hydrogen carbonate
SMILESNc1nc(C(=O)N2Cc3ccccc3C2)c2cc(C3CC(OC(=O)O)CCO3)ccc2n1
InChIInChI=1S/C23H22N4O5/c24-22-25-18-6-5-13(19-10-16(7-8-31-19)32-23(29)30)9-17(18)20(26-22)21(28)27-11-14-3-1-2-4-15(14)12-27/h1-6,9,16,19H,7-8,10-12H2,(H,29,30)(H2,24,25,26)
InChIKeyKEIDAHWAPOOWGB-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.28
Rot. Bonds3

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

[2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]oxan-4-yl] hydrogen carbonate (PubChem CID 67154039) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]oxan-4-yl] hydrogen carbonate.

Molecular Properties

Compound Name[2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]oxan-4-yl] hydrogen carbonate
PubChem CID67154039
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name[2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]oxan-4-yl] hydrogen carbonate
SMILESNc1nc(C(=O)N2Cc3ccccc3C2)c2cc(C3CC(OC(=O)O)CCO3)ccc2n1
InChIInChI=1S/C23H22N4O5/c24-22-25-18-6-5-13(19-10-16(7-8-31-19)32-23(29)30)9-17(18)20(26-22)21(28)27-11-14-3-1-2-4-15(14)12-27/h1-6,9,16,19H,7-8,10-12H2,(H,29,30)(H2,24,25,26)
InChIKeyKEIDAHWAPOOWGB-UHFFFAOYSA-N
XLogP3.28
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]oxan-4-yl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetamide
CID 52938192
(2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 59483481
[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl] cyclopentanecarboxylate
CID 174668304
(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
1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]cyclopentane-1-carboxylic acid
CID 52939547
(2-amino-7-chloroquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone;ethane
CID 143745281
ethyl 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]acetate
CID 52919528
[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-benzylazanium
CID 163575598
2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]benzoic acid;cyclopentane
CID 123346237
[2-amino-6-[2-(aminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
CID 59483557
[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]oxan-4-yl] hydrogen carbonate?
The IUPAC name of [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]oxan-4-yl] hydrogen carbonate (CID 67154039) is [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]oxan-4-yl] hydrogen carbonate.
What is the SMILES notation for [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]oxan-4-yl] hydrogen carbonate?
The canonical SMILES for [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]oxan-4-yl] hydrogen carbonate is Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(C3CC(OC(=O)O)CCO3)ccc2n1.
What is the InChIKey of [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]oxan-4-yl] hydrogen carbonate?
The InChIKey is KEIDAHWAPOOWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c24-22-25-18-6-5-13(19-10-16(7-8-31-19)32-23(29)30)9-17(18)20(26-22)21(28)27-11-14-3-1-2-4-15(14)12-27/h1-6,9,16,19H,7-8,10-12H2,(H,29,30)(H2,24,25,26).
What are the key properties of [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]oxan-4-yl] hydrogen carbonate?
[2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]oxan-4-yl] hydrogen carbonate has a molecular weight of 434.45 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]oxan-4-yl] hydrogen carbonate is sourced from PubChem (CID 67154039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).