(2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione

C24H21N3O3 — CID 95881455

IUPAC(2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCOc1ccc(CN2C(=O)c3ccccc3N[C@@]23C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C24H21N3O3/c1-26-21-10-6-4-8-19(21)24(23(26)29)25-20-9-5-3-7-18(20)22(28)27(24)15-16-11-13-17(30-2)14-12-16/h3-14,25H,15H2,1-2H3/t24-/m1/s1
InChIKeyDRWMVJORJHUMBD-XMMPIXPASA-N
MW399.45 g/mol
LogP3.59
Rot. Bonds3

About (2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione

(2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione (PubChem CID 95881455) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is (2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
PubChem CID95881455
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name(2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCOc1ccc(CN2C(=O)c3ccccc3N[C@@]23C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C24H21N3O3/c1-26-21-10-6-4-8-19(21)24(23(26)29)25-20-9-5-3-7-18(20)22(28)27(24)15-16-11-13-17(30-2)14-12-16/h3-14,25H,15H2,1-2H3/t24-/m1/s1
InChIKeyDRWMVJORJHUMBD-XMMPIXPASA-N
XLogP3.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Dihydro-2-(4-methoxyphenyl)-4(3H)-quinazolinone
CID 484118
2-(3-(Benzyloxy)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 300572
4-Methoxy-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 21428971
3-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-2,4(1H,3H)-quinazolinedione
CID 122065
2,2-diethyl-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 703596
2-(3,4-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 484122
3-[(4-methoxyphenyl)methyl]-2,4-dioxo-N-(3-pyrrolidin-1-ylpropyl)-1H-quinazoline-7-carboxamide
CID 3238409
N-{3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-2,4-dioxo-1,2,3,4-tetrahydro-quinazolin-7-yl}-acetamide
CID 10527466
3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-6,7-dimethyl-1H-quinazoline-2,4-dione
CID 10606657
3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-2,4-dioxo-1,2,3,4-tetrahydro-quinazoline-7-carboxylic acid methyl ester
CID 10647175
3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-2,4-dioxo-1,2,3,4-tetrahydro-quinazoline-7-carbonitrile
CID 10693231
3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-7,8-dimethyl-1H-quinazoline-2,4-dione
CID 10716965

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The IUPAC name of (2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione (CID 95881455) is (2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The canonical SMILES for (2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione is COc1ccc(CN2C(=O)c3ccccc3N[C@@]23C(=O)N(C)c2ccccc23)cc1.
What is the InChIKey of (2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The InChIKey is DRWMVJORJHUMBD-XMMPIXPASA-N. The full InChI is InChI=1S/C24H21N3O3/c1-26-21-10-6-4-8-19(21)24(23(26)29)25-20-9-5-3-7-18(20)22(28)27(24)15-16-11-13-17(30-2)14-12-16/h3-14,25H,15H2,1-2H3/t24-/m1/s1.
What are the key properties of (2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
(2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione has a molecular weight of 399.45 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione is sourced from PubChem (CID 95881455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).