7-chlorospiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one

C17H15ClN2O — CID 47027575

IUPAC7-chlorospiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one
SMILESO=C1NC2(CCc3ccccc3C2)Nc2cc(Cl)ccc21
InChIInChI=1S/C17H15ClN2O/c18-13-5-6-14-15(9-13)19-17(20-16(14)21)8-7-11-3-1-2-4-12(11)10-17/h1-6,9,19H,7-8,10H2,(H,20,21)
InChIKeyPATLNXWTNXYYBH-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.38
Rot. Bonds

About 7-chlorospiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one

7-chlorospiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one (PubChem CID 47027575) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 7-chlorospiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one.

Molecular Properties

Compound Name7-chlorospiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one
PubChem CID47027575
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name7-chlorospiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one
SMILESO=C1NC2(CCc3ccccc3C2)Nc2cc(Cl)ccc21
InChIInChI=1S/C17H15ClN2O/c18-13-5-6-14-15(9-13)19-17(20-16(14)21)8-7-11-3-1-2-4-12(11)10-17/h1-6,9,19H,7-8,10H2,(H,20,21)
InChIKeyPATLNXWTNXYYBH-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one
CID 166226224
7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875608
7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 46169529
9-chloro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 13445632
7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 53169517
7-chloro-1'-(3,5-dimethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875425
spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
CID 68664926
6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one
CID 84727449
7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875609
6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875396
3'-[(4-chlorophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 4150094
7-chloro-2-(3-hydroxypropyl)-2-methyl-1,3-dihydroquinazolin-4-one
CID 45113305

Frequently Asked Questions

What is the IUPAC name of 7-chlorospiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one?
The IUPAC name of 7-chlorospiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one (CID 47027575) is 7-chlorospiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one.
What is the SMILES notation for 7-chlorospiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one?
The canonical SMILES for 7-chlorospiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one is O=C1NC2(CCc3ccccc3C2)Nc2cc(Cl)ccc21.
What is the InChIKey of 7-chlorospiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one?
The InChIKey is PATLNXWTNXYYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-13-5-6-14-15(9-13)19-17(20-16(14)21)8-7-11-3-1-2-4-12(11)10-17/h1-6,9,19H,7-8,10H2,(H,20,21).
What are the key properties of 7-chlorospiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one?
7-chlorospiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one has a molecular weight of 298.77 g/mol, XLogP of 3.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorospiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one is sourced from PubChem (CID 47027575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).