14-ethyl-13-(furan-2-ylmethyl)-17-[(4-methoxyphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one

C27H23N5O3 — CID 2003194

IUPAC14-ethyl-13-(furan-2-ylmethyl)-17-[(4-methoxyphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
SMILESCCc1nc2c(c(=O)n1Cc1ccco1)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1
InChIInChI=1S/C27H23N5O3/c1-3-22-30-25-23(27(33)31(22)16-19-7-6-14-35-19)24-26(29-21-9-5-4-8-20(21)28-24)32(25)15-17-10-12-18(34-2)13-11-17/h4-14H,3,15-16H2,1-2H3
InChIKeyZFZUMPZQYFTLTB-UHFFFAOYSA-N
MW465.51 g/mol
LogP4.55
Rot. Bonds6

About 14-ethyl-13-(furan-2-ylmethyl)-17-[(4-methoxyphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one

14-ethyl-13-(furan-2-ylmethyl)-17-[(4-methoxyphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one (PubChem CID 2003194) has the molecular formula C27H23N5O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is 14-ethyl-13-(furan-2-ylmethyl)-17-[(4-methoxyphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.

Molecular Properties

Compound Name14-ethyl-13-(furan-2-ylmethyl)-17-[(4-methoxyphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
PubChem CID2003194
Molecular FormulaC27H23N5O3
Molecular Weight465.51 g/mol
Exact Mass465.18
IUPAC Name14-ethyl-13-(furan-2-ylmethyl)-17-[(4-methoxyphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
SMILESCCc1nc2c(c(=O)n1Cc1ccco1)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1
InChIInChI=1S/C27H23N5O3/c1-3-22-30-25-23(27(33)31(22)16-19-7-6-14-35-19)24-26(29-21-9-5-4-8-20(21)28-24)32(25)15-17-10-12-18(34-2)13-11-17/h4-14H,3,15-16H2,1-2H3
InChIKeyZFZUMPZQYFTLTB-UHFFFAOYSA-N
XLogP4.55
TPSA87.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 14-ethyl-13-(furan-2-ylmethyl)-17-[(4-methoxyphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one with MolForge

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Related Compounds

17-(furan-2-ylmethyl)-14-methyl-13-(3-methylbutyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 2004735
13-(1,3-benzodioxol-5-ylmethyl)-14-ethyl-17-(3-methoxyphenyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 3253421
2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2426783
17-benzyl-14-methyl-13-(3-methylbutyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 4545475
17-[2-(4-methoxyphenyl)ethyl]-13-[(4-methylphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 4252721
3-(furan-2-ylmethyl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 24577196
2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 6502140
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16511040
13-[(2S)-butan-2-yl]-17-[(4-chlorophenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 2006548
7,9-dibromo-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline
CID 4730390
1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091379

Frequently Asked Questions

What is the IUPAC name of 14-ethyl-13-(furan-2-ylmethyl)-17-[(4-methoxyphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one?
The IUPAC name of 14-ethyl-13-(furan-2-ylmethyl)-17-[(4-methoxyphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one (CID 2003194) is 14-ethyl-13-(furan-2-ylmethyl)-17-[(4-methoxyphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.
What is the SMILES notation for 14-ethyl-13-(furan-2-ylmethyl)-17-[(4-methoxyphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one?
The canonical SMILES for 14-ethyl-13-(furan-2-ylmethyl)-17-[(4-methoxyphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one is CCc1nc2c(c(=O)n1Cc1ccco1)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1.
What is the InChIKey of 14-ethyl-13-(furan-2-ylmethyl)-17-[(4-methoxyphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one?
The InChIKey is ZFZUMPZQYFTLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3/c1-3-22-30-25-23(27(33)31(22)16-19-7-6-14-35-19)24-26(29-21-9-5-4-8-20(21)28-24)32(25)15-17-10-12-18(34-2)13-11-17/h4-14H,3,15-16H2,1-2H3.
What are the key properties of 14-ethyl-13-(furan-2-ylmethyl)-17-[(4-methoxyphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one?
14-ethyl-13-(furan-2-ylmethyl)-17-[(4-methoxyphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one has a molecular weight of 465.51 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethyl-13-(furan-2-ylmethyl)-17-[(4-methoxyphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one is sourced from PubChem (CID 2003194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).