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

C22H17N5O — CID 25161019

IUPAC(2-amino-6-pyridin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESNc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3ccncc3)ccc2n1
InChIInChI=1S/C22H17N5O/c23-22-25-19-6-5-15(14-7-9-24-10-8-14)11-18(19)20(26-22)21(28)27-12-16-3-1-2-4-17(16)13-27/h1-11H,12-13H2,(H2,23,25,26)
InChIKeyDKOCQMZDOSQZMT-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.43
Rot. Bonds2

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

(2-amino-6-pyridin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 25161019) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is (2-amino-6-pyridin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-pyridin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID25161019
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name(2-amino-6-pyridin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESNc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3ccncc3)ccc2n1
InChIInChI=1S/C22H17N5O/c23-22-25-19-6-5-15(14-7-9-24-10-8-14)11-18(19)20(26-22)21(28)27-12-16-3-1-2-4-17(16)13-27/h1-11H,12-13H2,(H2,23,25,26)
InChIKeyDKOCQMZDOSQZMT-UHFFFAOYSA-N
XLogP3.43
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-ethenylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 59483438
1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]cyclopentane-1-carboxylic acid
CID 52939547
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]-4,5-difluorophenyl]-pyrrolidin-1-ylmethanone
CID 46701696
[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-benzylazanium
CID 163575598
(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]-4,5-difluorophenyl]methyl 2-aminopropanoate
CID 77194371
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]-N-ethylbenzenesulfonamide
CID 46701818
[2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-4,5-difluorophenyl]methyl 2-aminopropanoate;dihydrochloride
CID 77194370

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-pyridin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (2-amino-6-pyridin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone (CID 25161019) is (2-amino-6-pyridin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (2-amino-6-pyridin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (2-amino-6-pyridin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone is Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3ccncc3)ccc2n1.
What is the InChIKey of (2-amino-6-pyridin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is DKOCQMZDOSQZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c23-22-25-19-6-5-15(14-7-9-24-10-8-14)11-18(19)20(26-22)21(28)27-12-16-3-1-2-4-17(16)13-27/h1-11H,12-13H2,(H2,23,25,26).
What are the key properties of (2-amino-6-pyridin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
(2-amino-6-pyridin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 367.41 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-pyridin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 25161019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).