cyclopropyl-[[[4-ethyl-8-[(5S)-5-methyl-7-oxocyclohepta-1,3-dien-1-yl]-6-[(2-oxo-1H-quinolin-3-yl)methyl]furo[2,3-e]indole-7-carbonyl]amino]methyl]tin

C35H33N3O4Sn — CID 143715844

IUPACcyclopropyl-[[[4-ethyl-8-[(5S)-5-methyl-7-oxocyclohepta-1,3-dien-1-yl]-6-[(2-oxo-1H-quinolin-3-yl)methyl]furo[2,3-e]indole-7-carbonyl]amino]methyl]tin
SMILESCCc1cc2c(c(C3=CC=C[C@@H](C)CC3=O)c(C(=O)NC[Sn]C3CC3)n2Cc2cc3ccccc3[nH]c2=O)c2occc12
InChIInChI=1S/C32H28N3O4.C3H5.Sn/c1-4-19-16-25-28(30-22(19)12-13-39-30)27(23-10-7-8-18(2)14-26(23)36)29(32(38)33-3)35(25)17-21-15-20-9-5-6-11-24(20)34-31(21)37;1-2-3-1;/h5-13,15-16,18H,3-4,14,17H2,1-2H3,(H,33,38)(H,34,37);1H,2-3H2;/t18-;;/m1../s1
InChIKeyGKKHCTYBJPTRSG-JPKZNVRTSA-N
MW678.38 g/mol
LogP6.36
Rot. Bonds8

About cyclopropyl-[[[4-ethyl-8-[(5S)-5-methyl-7-oxocyclohepta-1,3-dien-1-yl]-6-[(2-oxo-1H-quinolin-3-yl)methyl]furo[2,3-e]indole-7-carbonyl]amino]methyl]tin

cyclopropyl-[[[4-ethyl-8-[(5S)-5-methyl-7-oxocyclohepta-1,3-dien-1-yl]-6-[(2-oxo-1H-quinolin-3-yl)methyl]furo[2,3-e]indole-7-carbonyl]amino]methyl]tin (PubChem CID 143715844) has the molecular formula C35H33N3O4Sn and a molecular weight of 678.38 g/mol. Its IUPAC name is cyclopropyl-[[[4-ethyl-8-[(5S)-5-methyl-7-oxocyclohepta-1,3-dien-1-yl]-6-[(2-oxo-1H-quinolin-3-yl)methyl]furo[2,3-e]indole-7-carbonyl]amino]methyl]tin.

Molecular Properties

Compound Namecyclopropyl-[[[4-ethyl-8-[(5S)-5-methyl-7-oxocyclohepta-1,3-dien-1-yl]-6-[(2-oxo-1H-quinolin-3-yl)methyl]furo[2,3-e]indole-7-carbonyl]amino]methyl]tin
PubChem CID143715844
Molecular FormulaC35H33N3O4Sn
Molecular Weight678.38 g/mol
Exact Mass679.15
IUPAC Namecyclopropyl-[[[4-ethyl-8-[(5S)-5-methyl-7-oxocyclohepta-1,3-dien-1-yl]-6-[(2-oxo-1H-quinolin-3-yl)methyl]furo[2,3-e]indole-7-carbonyl]amino]methyl]tin
SMILESCCc1cc2c(c(C3=CC=C[C@@H](C)CC3=O)c(C(=O)NC[Sn]C3CC3)n2Cc2cc3ccccc3[nH]c2=O)c2occc12
InChIInChI=1S/C32H28N3O4.C3H5.Sn/c1-4-19-16-25-28(30-22(19)12-13-39-30)27(23-10-7-8-18(2)14-26(23)36)29(32(38)33-3)35(25)17-21-15-20-9-5-6-11-24(20)34-31(21)37;1-2-3-1;/h5-13,15-16,18H,3-4,14,17H2,1-2H3,(H,33,38)(H,34,37);1H,2-3H2;/t18-;;/m1../s1
InChIKeyGKKHCTYBJPTRSG-JPKZNVRTSA-N
XLogP6.36
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.38
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[[[4-ethyl-8-[(5S)-5-methyl-7-oxocyclohepta-1,3-dien-1-yl]-6-[(2-oxo-1H-quinolin-3-yl)methyl]furo[2,3-e]indole-7-carbonyl]amino]methyl]tin with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid
CID 25225641
3-[1-(4,4-dimethyl-3-oxopentyl)-2-methylidene-3-pyridinyl]-4,6-dimethyl-1-[(2-oxo-1H-quinolin-3-yl)methyl]-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid
CID 143715570
6-[(3-chloronaphthalen-1-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
CID 59283535
(6S)-17-fluoro-6-methyl-14-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-14-azahexacyclo[10.8.2.02,4.05,11.015,22.018,21]docosa-4,8,10,12,15,17,19,21-octaene-13-carboxylic acid
CID 153179868
3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 110019820
3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 95584393
N-[2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]morpholin-2-yl]ethyl]acetamide
CID 56705307
1-ethyl-3-[[(3S)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198920
1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198921
3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one
CID 56817964
3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110424560
6-[[7-[(2R)-2-aminopropanoyl]oxy-2-chloroquinolin-3-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid
CID 58371504

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[[[4-ethyl-8-[(5S)-5-methyl-7-oxocyclohepta-1,3-dien-1-yl]-6-[(2-oxo-1H-quinolin-3-yl)methyl]furo[2,3-e]indole-7-carbonyl]amino]methyl]tin?
The IUPAC name of cyclopropyl-[[[4-ethyl-8-[(5S)-5-methyl-7-oxocyclohepta-1,3-dien-1-yl]-6-[(2-oxo-1H-quinolin-3-yl)methyl]furo[2,3-e]indole-7-carbonyl]amino]methyl]tin (CID 143715844) is cyclopropyl-[[[4-ethyl-8-[(5S)-5-methyl-7-oxocyclohepta-1,3-dien-1-yl]-6-[(2-oxo-1H-quinolin-3-yl)methyl]furo[2,3-e]indole-7-carbonyl]amino]methyl]tin.
What is the SMILES notation for cyclopropyl-[[[4-ethyl-8-[(5S)-5-methyl-7-oxocyclohepta-1,3-dien-1-yl]-6-[(2-oxo-1H-quinolin-3-yl)methyl]furo[2,3-e]indole-7-carbonyl]amino]methyl]tin?
The canonical SMILES for cyclopropyl-[[[4-ethyl-8-[(5S)-5-methyl-7-oxocyclohepta-1,3-dien-1-yl]-6-[(2-oxo-1H-quinolin-3-yl)methyl]furo[2,3-e]indole-7-carbonyl]amino]methyl]tin is CCc1cc2c(c(C3=CC=C[C@@H](C)CC3=O)c(C(=O)NC[Sn]C3CC3)n2Cc2cc3ccccc3[nH]c2=O)c2occc12.
What is the InChIKey of cyclopropyl-[[[4-ethyl-8-[(5S)-5-methyl-7-oxocyclohepta-1,3-dien-1-yl]-6-[(2-oxo-1H-quinolin-3-yl)methyl]furo[2,3-e]indole-7-carbonyl]amino]methyl]tin?
The InChIKey is GKKHCTYBJPTRSG-JPKZNVRTSA-N. The full InChI is InChI=1S/C32H28N3O4.C3H5.Sn/c1-4-19-16-25-28(30-22(19)12-13-39-30)27(23-10-7-8-18(2)14-26(23)36)29(32(38)33-3)35(25)17-21-15-20-9-5-6-11-24(20)34-31(21)37;1-2-3-1;/h5-13,15-16,18H,3-4,14,17H2,1-2H3,(H,33,38)(H,34,37);1H,2-3H2;/t18-;;/m1../s1.
What are the key properties of cyclopropyl-[[[4-ethyl-8-[(5S)-5-methyl-7-oxocyclohepta-1,3-dien-1-yl]-6-[(2-oxo-1H-quinolin-3-yl)methyl]furo[2,3-e]indole-7-carbonyl]amino]methyl]tin?
cyclopropyl-[[[4-ethyl-8-[(5S)-5-methyl-7-oxocyclohepta-1,3-dien-1-yl]-6-[(2-oxo-1H-quinolin-3-yl)methyl]furo[2,3-e]indole-7-carbonyl]amino]methyl]tin has a molecular weight of 678.38 g/mol, XLogP of 6.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[[[4-ethyl-8-[(5S)-5-methyl-7-oxocyclohepta-1,3-dien-1-yl]-6-[(2-oxo-1H-quinolin-3-yl)methyl]furo[2,3-e]indole-7-carbonyl]amino]methyl]tin is sourced from PubChem (CID 143715844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).