2-amino-4-(4-cyanophenyl)-8-methoxy-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile

C22H17N3O2 — CID 23659851

IUPAC2-amino-4-(4-cyanophenyl)-8-methoxy-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile
SMILESCOc1ccc2c(c1)CCC1=C2OC(N)=C(C#N)C1c1ccc(C#N)cc1
InChIInChI=1S/C22H17N3O2/c1-26-16-7-9-17-15(10-16)6-8-18-20(14-4-2-13(11-23)3-5-14)19(12-24)22(25)27-21(17)18/h2-5,7,9-10,20H,6,8,25H2,1H3
InChIKeyYUGACSZPEGCOMN-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.73
Rot. Bonds2

About 2-amino-4-(4-cyanophenyl)-8-methoxy-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile

2-amino-4-(4-cyanophenyl)-8-methoxy-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile (PubChem CID 23659851) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-amino-4-(4-cyanophenyl)-8-methoxy-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-cyanophenyl)-8-methoxy-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile
PubChem CID23659851
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name2-amino-4-(4-cyanophenyl)-8-methoxy-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile
SMILESCOc1ccc2c(c1)CCC1=C2OC(N)=C(C#N)C1c1ccc(C#N)cc1
InChIInChI=1S/C22H17N3O2/c1-26-16-7-9-17-15(10-16)6-8-18-20(14-4-2-13(11-23)3-5-14)19(12-24)22(25)27-21(17)18/h2-5,7,9-10,20H,6,8,25H2,1H3
InChIKeyYUGACSZPEGCOMN-UHFFFAOYSA-N
XLogP3.73
TPSA92.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(4-methoxyphenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile
CID 5242125
2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 3441737
(4S)-2-amino-4-(3,5-dimethoxyphenyl)-8-oxo-4,5,6,7-tetrahydrochromene-3-carbonitrile
CID 722101
(4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4,5-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 1220782
2-amino-7-methoxy-4-(4-nitrophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile
CID 22918684
(4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 92974508
2-amino-4-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile
CID 15229290
(4S,8Z)-2-amino-4-(3-methoxyphenyl)-8-[(3-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile
CID 1035655
(8E)-2-amino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 5470908
(4R)-2-amino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1266308
(4R)-2-amino-7-methoxy-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
CID 8613742
6-amino-8-(4-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 2941798

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-cyanophenyl)-8-methoxy-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-cyanophenyl)-8-methoxy-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile (CID 23659851) is 2-amino-4-(4-cyanophenyl)-8-methoxy-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-cyanophenyl)-8-methoxy-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-cyanophenyl)-8-methoxy-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile is COc1ccc2c(c1)CCC1=C2OC(N)=C(C#N)C1c1ccc(C#N)cc1.
What is the InChIKey of 2-amino-4-(4-cyanophenyl)-8-methoxy-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile?
The InChIKey is YUGACSZPEGCOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-26-16-7-9-17-15(10-16)6-8-18-20(14-4-2-13(11-23)3-5-14)19(12-24)22(25)27-21(17)18/h2-5,7,9-10,20H,6,8,25H2,1H3.
What are the key properties of 2-amino-4-(4-cyanophenyl)-8-methoxy-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile?
2-amino-4-(4-cyanophenyl)-8-methoxy-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile has a molecular weight of 355.40 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-cyanophenyl)-8-methoxy-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile is sourced from PubChem (CID 23659851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).