(3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

C19H17N3O3 — CID 94572005

IUPAC(3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESCOc1ccc2c(c1)NC(=O)[C@]21Nc2ccccc2C(=O)N1C1CC1
InChIInChI=1S/C19H17N3O3/c1-25-12-8-9-14-16(10-12)20-18(24)19(14)21-15-5-3-2-4-13(15)17(23)22(19)11-6-7-11/h2-5,8-11,21H,6-7H2,1H3,(H,20,24)/t19-/m0/s1
InChIKeyIXEPPCQCLAHHQJ-IBGZPJMESA-N
MW335.36 g/mol
LogP2.53
Rot. Bonds2

About (3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

(3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (PubChem CID 94572005) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.

Molecular Properties

Compound Name(3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
PubChem CID94572005
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESCOc1ccc2c(c1)NC(=O)[C@]21Nc2ccccc2C(=O)N1C1CC1
InChIInChI=1S/C19H17N3O3/c1-25-12-8-9-14-16(10-12)20-18(24)19(14)21-15-5-3-2-4-13(15)17(23)22(19)11-6-7-11/h2-5,8-11,21H,6-7H2,1H3,(H,20,24)/t19-/m0/s1
InChIKeyIXEPPCQCLAHHQJ-IBGZPJMESA-N
XLogP2.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione with MolForge

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Related Compounds

(3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 704651
5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 139218295
(2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one
CID 9008726
3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 54777947
(3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 94182883
3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 47006441
(2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione
CID 755391
2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 84721821
(3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 51719571
(2R)-3-(3-methoxyphenyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 52507364
6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione
CID 4984545
2-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54778568

Frequently Asked Questions

What is the IUPAC name of (3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The IUPAC name of (3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (CID 94572005) is (3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.
What is the SMILES notation for (3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The canonical SMILES for (3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is COc1ccc2c(c1)NC(=O)[C@]21Nc2ccccc2C(=O)N1C1CC1.
What is the InChIKey of (3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The InChIKey is IXEPPCQCLAHHQJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17N3O3/c1-25-12-8-9-14-16(10-12)20-18(24)19(14)21-15-5-3-2-4-13(15)17(23)22(19)11-6-7-11/h2-5,8-11,21H,6-7H2,1H3,(H,20,24)/t19-/m0/s1.
What are the key properties of (3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
(3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione has a molecular weight of 335.36 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is sourced from PubChem (CID 94572005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).