4-(furan-3-yl)-7-[[7-(4-hydroxyoxan-4-yl)quinolin-2-yl]methoxy]naphthalene-2-carbonitrile

C30H24N2O4 — CID 10576564

IUPAC4-(furan-3-yl)-7-[[7-(4-hydroxyoxan-4-yl)quinolin-2-yl]methoxy]naphthalene-2-carbonitrile
SMILESN#Cc1cc(-c2ccoc2)c2ccc(OCc3ccc4ccc(C5(O)CCOCC5)cc4n3)cc2c1
InChIInChI=1S/C30H24N2O4/c31-17-20-13-23-15-26(5-6-27(23)28(14-20)22-7-10-35-18-22)36-19-25-4-2-21-1-3-24(16-29(21)32-25)30(33)8-11-34-12-9-30/h1-7,10,13-16,18,33H,8-9,11-12,19H2
InChIKeyGKYXNCDXXFTVAC-UHFFFAOYSA-N
MW476.53 g/mol
LogP6.10
Rot. Bonds5

About 4-(furan-3-yl)-7-[[7-(4-hydroxyoxan-4-yl)quinolin-2-yl]methoxy]naphthalene-2-carbonitrile

4-(furan-3-yl)-7-[[7-(4-hydroxyoxan-4-yl)quinolin-2-yl]methoxy]naphthalene-2-carbonitrile (PubChem CID 10576564) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is 4-(furan-3-yl)-7-[[7-(4-hydroxyoxan-4-yl)quinolin-2-yl]methoxy]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name4-(furan-3-yl)-7-[[7-(4-hydroxyoxan-4-yl)quinolin-2-yl]methoxy]naphthalene-2-carbonitrile
PubChem CID10576564
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC Name4-(furan-3-yl)-7-[[7-(4-hydroxyoxan-4-yl)quinolin-2-yl]methoxy]naphthalene-2-carbonitrile
SMILESN#Cc1cc(-c2ccoc2)c2ccc(OCc3ccc4ccc(C5(O)CCOCC5)cc4n3)cc2c1
InChIInChI=1S/C30H24N2O4/c31-17-20-13-23-15-26(5-6-27(23)28(14-20)22-7-10-35-18-22)36-19-25-4-2-21-1-3-24(16-29(21)32-25)30(33)8-11-34-12-9-30/h1-7,10,13-16,18,33H,8-9,11-12,19H2
InChIKeyGKYXNCDXXFTVAC-UHFFFAOYSA-N
XLogP6.10
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(furan-3-yl)-7-[[7-(4-hydroxyoxan-4-yl)quinolin-2-yl]methoxy]naphthalene-2-carbonitrile with MolForge

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Related Compounds

4-(2-{[7-(Quinolin-2-ylmethoxy)-naphthalene-2-carbonyl]-amino}-ethyl)-benzoic acid
CID 9891157
S(alpha)-methyl-6-(2-quinolinylmethoxy)-2-naphthaleneacetic acid
CID 129863
4-Furan-3-yl-7-[6-(4-hydroxy-tetrahydro-pyran-4-yl)-pyridin-2-ylmethoxy]-naphthalene-2-carbonitrile
CID 11796680
4-Furan-3-yl-7-[6-(3-hydroxy-6,8-dioxa-bicyclo[3.2.1]oct-3-yl)-pyridin-2-ylmethoxy]-naphthalene-2-carbonitrile
CID 9803993
4-(2-((7-(Quinolin-2-ylmethoxy)naphthalen-2-yl)methoxy)ethyl)benzoic acid
CID 9804436
4-[3-[7-(2-Quinolinylmethoxy)-2-naphthyloxy]propyl]benzoic acid
CID 9847235
2-[6-[(Quinolin-2-yl)methoxy]naphthalen-2-yl]propanoic acid
CID 11725870
4-(((7-(Quinolin-2-ylmethoxy)naphthalen-2-yl)methoxy)methyl)benzoic acid
CID 44352148
3-(2-((7-(Quinolin-2-ylmethoxy)naphthalen-2-yl)methoxy)ethyl)benzoic acid
CID 44352294
4-(4-{[6-(Quinolin-2-ylmethoxy)-naphthalene-2-carbonyl]-amino}-phenyl)-butyric acid
CID 44352326
4-(4-{[7-(Quinolin-2-ylmethoxy)-naphthalene-2-carbonyl]-amino}-phenyl)-butyric acid
CID 44352406
3-[4-(3-Cyanopropoxy)-3-methoxyphenyl]benzo[f]quinoline-1-carboxylic acid
CID 1797625

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-7-[[7-(4-hydroxyoxan-4-yl)quinolin-2-yl]methoxy]naphthalene-2-carbonitrile?
The IUPAC name of 4-(furan-3-yl)-7-[[7-(4-hydroxyoxan-4-yl)quinolin-2-yl]methoxy]naphthalene-2-carbonitrile (CID 10576564) is 4-(furan-3-yl)-7-[[7-(4-hydroxyoxan-4-yl)quinolin-2-yl]methoxy]naphthalene-2-carbonitrile.
What is the SMILES notation for 4-(furan-3-yl)-7-[[7-(4-hydroxyoxan-4-yl)quinolin-2-yl]methoxy]naphthalene-2-carbonitrile?
The canonical SMILES for 4-(furan-3-yl)-7-[[7-(4-hydroxyoxan-4-yl)quinolin-2-yl]methoxy]naphthalene-2-carbonitrile is N#Cc1cc(-c2ccoc2)c2ccc(OCc3ccc4ccc(C5(O)CCOCC5)cc4n3)cc2c1.
What is the InChIKey of 4-(furan-3-yl)-7-[[7-(4-hydroxyoxan-4-yl)quinolin-2-yl]methoxy]naphthalene-2-carbonitrile?
The InChIKey is GKYXNCDXXFTVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4/c31-17-20-13-23-15-26(5-6-27(23)28(14-20)22-7-10-35-18-22)36-19-25-4-2-21-1-3-24(16-29(21)32-25)30(33)8-11-34-12-9-30/h1-7,10,13-16,18,33H,8-9,11-12,19H2.
What are the key properties of 4-(furan-3-yl)-7-[[7-(4-hydroxyoxan-4-yl)quinolin-2-yl]methoxy]naphthalene-2-carbonitrile?
4-(furan-3-yl)-7-[[7-(4-hydroxyoxan-4-yl)quinolin-2-yl]methoxy]naphthalene-2-carbonitrile has a molecular weight of 476.53 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-7-[[7-(4-hydroxyoxan-4-yl)quinolin-2-yl]methoxy]naphthalene-2-carbonitrile is sourced from PubChem (CID 10576564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).