2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate

C29H25F2N5O5 — CID 44547338

IUPAC2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
SMILESCN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1CC1=CC2C(=O)NC=NC2C=C1F
InChIInChI=1S/C29H25F2N5O5/c1-35(2)7-9-41-29(39)25-23(17-4-3-6-32-27(17)37)24-22(12-20(31)16-5-8-40-26(16)24)36(25)13-15-10-18-21(11-19(15)30)33-14-34-28(18)38/h3-6,8,10-12,14,18,21H,7,9,13H2,1-2H3,(H,32,37)(H,33,34,38)
InChIKeyLKWBDPBUMNWYES-UHFFFAOYSA-N
MW561.55 g/mol
LogP3.54
Rot. Bonds7

About 2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate

2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate (PubChem CID 44547338) has the molecular formula C29H25F2N5O5 and a molecular weight of 561.55 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
PubChem CID44547338
Molecular FormulaC29H25F2N5O5
Molecular Weight561.55 g/mol
Exact Mass561.18
IUPAC Name2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
SMILESCN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1CC1=CC2C(=O)NC=NC2C=C1F
InChIInChI=1S/C29H25F2N5O5/c1-35(2)7-9-41-29(39)25-23(17-4-3-6-32-27(17)37)24-22(12-20(31)16-5-8-40-26(16)24)36(25)13-15-10-18-21(11-19(15)30)33-14-34-28(18)38/h3-6,8,10-12,14,18,21H,7,9,13H2,1-2H3,(H,32,37)(H,33,34,38)
InChIKeyLKWBDPBUMNWYES-UHFFFAOYSA-N
XLogP3.54
TPSA121.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.55
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate (CID 44547338) is 2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate is CN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1CC1=CC2C(=O)NC=NC2C=C1F.
What is the InChIKey of 2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
The InChIKey is LKWBDPBUMNWYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N5O5/c1-35(2)7-9-41-29(39)25-23(17-4-3-6-32-27(17)37)24-22(12-20(31)16-5-8-40-26(16)24)36(25)13-15-10-18-21(11-19(15)30)33-14-34-28(18)38/h3-6,8,10-12,14,18,21H,7,9,13H2,1-2H3,(H,32,37)(H,33,34,38).
What are the key properties of 2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate has a molecular weight of 561.55 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate is sourced from PubChem (CID 44547338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).