7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one

C25H21N3O3 — CID 54296306

IUPAC7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCc3ccc(OCc4ncc5ccccc5n4)cc3)cc2N1
InChIInChI=1S/C25H21N3O3/c29-25-12-8-18-7-11-21(13-23(18)28-25)30-15-17-5-9-20(10-6-17)31-16-24-26-14-19-3-1-2-4-22(19)27-24/h1-7,9-11,13-14H,8,12,15-16H2,(H,28,29)
InChIKeySBACCDYKXBLYAX-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.67
Rot. Bonds6

About 7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one

7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 54296306) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID54296306
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCc3ccc(OCc4ncc5ccccc5n4)cc3)cc2N1
InChIInChI=1S/C25H21N3O3/c29-25-12-8-18-7-11-21(13-23(18)28-25)30-15-17-5-9-20(10-6-17)31-16-24-26-14-19-3-1-2-4-22(19)27-24/h1-7,9-11,13-14H,8,12,15-16H2,(H,28,29)
InChIKeySBACCDYKXBLYAX-UHFFFAOYSA-N
XLogP4.67
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

7-[[3-(quinazolin-2-ylmethoxy)phenyl]methoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 19369492
7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile
CID 114940048
7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940207
7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940155
tert-butyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoate
CID 68588682
7-[(3-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940176
6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 115969585
7-[(1-benzyltetrazol-5-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12941284
7-(2-pyridin-4-ylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940079
3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one
CID 22443419
3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-N-[(2S)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide
CID 39341350

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 54296306) is 7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCc3ccc(OCc4ncc5ccccc5n4)cc3)cc2N1.
What is the InChIKey of 7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SBACCDYKXBLYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c29-25-12-8-18-7-11-21(13-23(18)28-25)30-15-17-5-9-20(10-6-17)31-16-24-26-14-19-3-1-2-4-22(19)27-24/h1-7,9-11,13-14H,8,12,15-16H2,(H,28,29).
What are the key properties of 7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 411.46 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 54296306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).