2-amino-10-oxo-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-b]chromene-3-carbonitrile

C26H18N2O4 — CID 23822591

IUPAC2-amino-10-oxo-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-b]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(oc3ccccc3c2=O)C1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C26H18N2O4/c27-14-20-22(17-9-6-10-18(13-17)30-15-16-7-2-1-3-8-16)24-25(32-26(20)28)23(29)19-11-4-5-12-21(19)31-24/h1-13,22H,15,28H2
InChIKeyYWQSSHDLOJMKHT-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.59
Rot. Bonds4

About 2-amino-10-oxo-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-b]chromene-3-carbonitrile

2-amino-10-oxo-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-b]chromene-3-carbonitrile (PubChem CID 23822591) has the molecular formula C26H18N2O4 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-amino-10-oxo-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-b]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-10-oxo-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-b]chromene-3-carbonitrile
PubChem CID23822591
Molecular FormulaC26H18N2O4
Molecular Weight422.44 g/mol
Exact Mass422.13
IUPAC Name2-amino-10-oxo-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-b]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(oc3ccccc3c2=O)C1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C26H18N2O4/c27-14-20-22(17-9-6-10-18(13-17)30-15-16-7-2-1-3-8-16)24-25(32-26(20)28)23(29)19-11-4-5-12-21(19)31-24/h1-13,22H,15,28H2
InChIKeyYWQSSHDLOJMKHT-UHFFFAOYSA-N
XLogP4.59
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-3-amino-1-(3-phenylmethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 7921941
2-amino-5-oxo-4-[4-(phenoxymethyl)phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 23856591
(5S)-7-amino-4-oxo-5-(3-phenylmethoxyphenyl)-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 8613591
ethyl (4S)-6-amino-5-cyano-2-methyl-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylate
CID 1035646
(4S)-2-amino-7,7-dimethyl-5-oxo-4-(3-phenylmethoxyphenyl)-6,8-dihydro-4H-chromene-3-carbonitrile
CID 1035623
2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 2815055
(4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
CID 722148
(4S)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 689723
2-amino-4-(4-methoxy-3-phenylmethoxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 4042475
(4S)-2-amino-4-(3-ethoxy-4-phenylmethoxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 2009922
[2-amino-3-cyano-4-[3-[(4-methylphenyl)methoxy]phenyl]-4H-chromen-7-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 19129667
6-amino-3-tert-butyl-4-(3-phenylmethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2865476

Frequently Asked Questions

What is the IUPAC name of 2-amino-10-oxo-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-b]chromene-3-carbonitrile?
The IUPAC name of 2-amino-10-oxo-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-b]chromene-3-carbonitrile (CID 23822591) is 2-amino-10-oxo-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-b]chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-10-oxo-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-b]chromene-3-carbonitrile?
The canonical SMILES for 2-amino-10-oxo-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-b]chromene-3-carbonitrile is N#CC1=C(N)Oc2c(oc3ccccc3c2=O)C1c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-amino-10-oxo-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-b]chromene-3-carbonitrile?
The InChIKey is YWQSSHDLOJMKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O4/c27-14-20-22(17-9-6-10-18(13-17)30-15-16-7-2-1-3-8-16)24-25(32-26(20)28)23(29)19-11-4-5-12-21(19)31-24/h1-13,22H,15,28H2.
What are the key properties of 2-amino-10-oxo-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-b]chromene-3-carbonitrile?
2-amino-10-oxo-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-b]chromene-3-carbonitrile has a molecular weight of 422.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-10-oxo-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-b]chromene-3-carbonitrile is sourced from PubChem (CID 23822591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).