N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylamino)propanamide

C19H18N4O3 — CID 110437297

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylamino)propanamide
SMILESCC(Nc1ncnc2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H18N4O3/c1-12(22-18-14-4-2-3-5-15(14)20-11-21-18)19(24)23-13-6-7-16-17(10-13)26-9-8-25-16/h2-7,10-12H,8-9H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyHPHJKZAVACMHKG-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.84
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylamino)propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylamino)propanamide (PubChem CID 110437297) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylamino)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylamino)propanamide
PubChem CID110437297
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylamino)propanamide
SMILESCC(Nc1ncnc2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H18N4O3/c1-12(22-18-14-4-2-3-5-15(14)20-11-21-18)19(24)23-13-6-7-16-17(10-13)26-9-8-25-16/h2-7,10-12H,8-9H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyHPHJKZAVACMHKG-UHFFFAOYSA-N
XLogP2.84
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 7632540
2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 42917950
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyanilino)propanamide
CID 17436766
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3119946
2-[1-(2-bromophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 112768810
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119669230
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1,2-benzothiazol-2-yl)propanamide
CID 22514919
2-(benzotriazol-1-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17403666
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(tetrazol-1-yl)anilino]propanamide
CID 4804176
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7421279
N-ethyl-N-methyl-2-(quinazolin-4-ylamino)propanamide
CID 103111298
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylamino)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylamino)propanamide (CID 110437297) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylamino)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylamino)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylamino)propanamide is CC(Nc1ncnc2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylamino)propanamide?
The InChIKey is HPHJKZAVACMHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-12(22-18-14-4-2-3-5-15(14)20-11-21-18)19(24)23-13-6-7-16-17(10-13)26-9-8-25-16/h2-7,10-12H,8-9H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylamino)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylamino)propanamide has a molecular weight of 350.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylamino)propanamide is sourced from PubChem (CID 110437297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).