(2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone

C21H21N5O2 — CID 59483481

IUPAC(2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESNc1nc(C(=O)N2Cc3ccccc3C2)c2cc(N3CCOCC3)ccc2n1
InChIInChI=1S/C21H21N5O2/c22-21-23-18-6-5-16(25-7-9-28-10-8-25)11-17(18)19(24-21)20(27)26-12-14-3-1-2-4-15(14)13-26/h1-6,11H,7-10,12-13H2,(H2,22,23,24)
InChIKeyAHOBSYPKSORINA-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.20
Rot. Bonds2

About (2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone

(2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 59483481) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is (2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID59483481
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name(2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESNc1nc(C(=O)N2Cc3ccccc3C2)c2cc(N3CCOCC3)ccc2n1
InChIInChI=1S/C21H21N5O2/c22-21-23-18-6-5-16(25-7-9-28-10-8-25)11-17(18)19(24-21)20(27)26-12-14-3-1-2-4-15(14)13-26/h1-6,11H,7-10,12-13H2,(H2,22,23,24)
InChIKeyAHOBSYPKSORINA-UHFFFAOYSA-N
XLogP2.20
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(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]acetamide
CID 52938192
2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]benzoic acid;cyclopentane
CID 123346237
1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]cyclopentane-1-carboxylic acid
CID 52939547
[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-benzylazanium
CID 163575598
3-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 59483570
(2-amino-7-chloroquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone;ethane
CID 143745281
N-[2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-4-methylpiperazine-1-carboxamide
CID 59483519
[2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]oxan-4-yl] hydrogen carbonate
CID 67154039
(2-amino-6-chloroquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone
CID 68509111
1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]cyclobutane-1-carboxylic acid;ethyl 1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]cyclobutane-1-carboxylate
CID 162158601

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone (CID 59483481) is (2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone is Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(N3CCOCC3)ccc2n1.
What is the InChIKey of (2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is AHOBSYPKSORINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c22-21-23-18-6-5-16(25-7-9-28-10-8-25)11-17(18)19(24-21)20(27)26-12-14-3-1-2-4-15(14)13-26/h1-6,11H,7-10,12-13H2,(H2,22,23,24).
What are the key properties of (2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
(2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 375.43 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 59483481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).