CID 4891810

C34H29N3O3 — CID 4891810

IUPAC—
SMILESCCc1cccc2c1NC(=O)C21N2CCCC2C(C(=O)c2ccc3ccccc3c2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C34H29N3O3/c1-2-20-11-7-13-25-29(20)36-32(40)34(25)33(24-12-5-6-14-26(24)35-31(33)39)28(27-15-8-18-37(27)34)30(38)23-17-16-21-9-3-4-10-22(21)19-23/h3-7,9-14,16-17,19,27-28H,2,8,15,18H2,1H3,(H,35,39)(H,36,40)
InChIKeyQYQDPBFSISDNBS-UHFFFAOYSA-N
MW527.62 g/mol
LogP5.42
Rot. Bonds3

About CID 4891810

CID 4891810 (PubChem CID 4891810) has the molecular formula C34H29N3O3 and a molecular weight of 527.62 g/mol.

Molecular Properties

Compound NameCID 4891810
PubChem CID4891810
Molecular FormulaC34H29N3O3
Molecular Weight527.62 g/mol
Exact Mass527.22
IUPAC Name—
SMILESCCc1cccc2c1NC(=O)C21N2CCCC2C(C(=O)c2ccc3ccccc3c2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C34H29N3O3/c1-2-20-11-7-13-25-29(20)36-32(40)34(25)33(24-12-5-6-14-26(24)35-31(33)39)28(27-15-8-18-37(27)34)30(38)23-17-16-21-9-3-4-10-22(21)19-23/h3-7,9-14,16-17,19,27-28H,2,8,15,18H2,1H3,(H,35,39)(H,36,40)
InChIKeyQYQDPBFSISDNBS-UHFFFAOYSA-N
XLogP5.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.62
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1'S,2'S,3R,3'aR)-1'-acetyl-7'-fluoro-2'-(4-methylbenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 12004623
(1'S,2'S,3R,3'aR)-1'-acetyl-2'-benzoyl-7'-fluorospiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 12004633
(2'S,3S,3'S,10'bR)-2'-benzoyl-3'-(4-fluorobenzoyl)spiro[1H-indole-3,1'-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline]-2-one
CID 12005683
(1'S,2'S,3R,3a'R)-1'-acetyl-7'-fluoro-2'-(4-propylbenzoyl)-2',3a'-dihydro-1'H-spiro[indoline-3,3'-pyrrolo[1,2-a]quinolin]-2-one
CID 16188100
CID 155544614
CID 155544614
7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione
CID 4860059
CID 4860344
CID 4860344
CID 4889893
CID 4889893
CID 4898241
CID 4898241
(1S,2S,3S,10bR)-3-benzoyl-2-(4-fluorobenzoyl)spiro[3,10b-dihydro-2H-pyrrol[2,1-a]isoquinoline-1,3''-indoline]-2''-one
CID 15944915
Spiro[2.3'']oxindolespiro[3.3']-1'-methyltetrahydro-4'(1H)-pyridinone-4-(4-methylphenyl)hexahydro-1H-pyrrolizine
CID 44225260
CID 71716383
CID 71716383

Frequently Asked Questions

What is the IUPAC name of CID 4891810?
The IUPAC name of CID 4891810 (CID 4891810) is not available.
What is the SMILES notation for CID 4891810?
The canonical SMILES for CID 4891810 is CCc1cccc2c1NC(=O)C21N2CCCC2C(C(=O)c2ccc3ccccc3c2)C12C(=O)Nc1ccccc12.
What is the InChIKey of CID 4891810?
The InChIKey is QYQDPBFSISDNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3O3/c1-2-20-11-7-13-25-29(20)36-32(40)34(25)33(24-12-5-6-14-26(24)35-31(33)39)28(27-15-8-18-37(27)34)30(38)23-17-16-21-9-3-4-10-22(21)19-23/h3-7,9-14,16-17,19,27-28H,2,8,15,18H2,1H3,(H,35,39)(H,36,40).
What are the key properties of CID 4891810?
CID 4891810 has a molecular weight of 527.62 g/mol, XLogP of 5.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 4891810 is sourced from PubChem (CID 4891810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).