2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile

C28H20N4O — CID 135391943

IUPAC2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESCc1ccc2[nH]c(-c3ccccc3)c(C3C(C#N)=C(N)Oc4c3ccc3cccnc43)c2c1
InChIInChI=1S/C28H20N4O/c1-16-9-12-22-20(14-16)24(25(32-22)17-6-3-2-4-7-17)23-19-11-10-18-8-5-13-31-26(18)27(19)33-28(30)21(23)15-29/h2-14,23,32H,30H2,1H3
InChIKeyDINOZTYQZMAGKT-UHFFFAOYSA-N
MW428.50 g/mol
LogP5.91
Rot. Bonds2

About 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile

2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile (PubChem CID 135391943) has the molecular formula C28H20N4O and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
PubChem CID135391943
Molecular FormulaC28H20N4O
Molecular Weight428.50 g/mol
Exact Mass428.16
IUPAC Name2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESCc1ccc2[nH]c(-c3ccccc3)c(C3C(C#N)=C(N)Oc4c3ccc3cccnc43)c2c1
InChIInChI=1S/C28H20N4O/c1-16-9-12-22-20(14-16)24(25(32-22)17-6-3-2-4-7-17)23-19-11-10-18-8-5-13-31-26(18)27(19)33-28(30)21(23)15-29/h2-14,23,32H,30H2,1H3
InChIKeyDINOZTYQZMAGKT-UHFFFAOYSA-N
XLogP5.91
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile with MolForge

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Related Compounds

2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-benzo[h]chromene-3-carbonitrile
CID 135391950
(4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
CID 1135142
(4S)-2-amino-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 40527938
2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 170836279
2-amino-4-(6-methyl-2-oxochromen-4-yl)-4H-benzo[h]chromene-3-carbonitrile
CID 155813506
2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile
CID 134110647
2-amino-4-(2-chloro-6-fluorophenyl)-9-methyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 4535355
5-amino-3-(4-methylphenyl)-6-oxa-15,22-diazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),4,8,10,12,14,16,18,20-decaene-4-carbonitrile
CID 132599746
(4S)-2-amino-4-(3-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 793791
(1R)-3-amino-1-(2-chloro-7-methylquinolin-3-yl)-1H-benzo[f]chromene-2-carbonitrile
CID 996629
7,9-diamino-11-(5-methyl-2-phenyl-1H-indol-3-yl)-5-oxo-13-phenyl-4,14-dioxa-2-azatricyclo[8.4.0.03,8]tetradeca-1(10),2,6,8,12-pentaene-6-carbonitrile
CID 71578453
(4R)-2-amino-4-(2-chloro-5,7-dimethylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
CID 1076883

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile (CID 135391943) is 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile is Cc1ccc2[nH]c(-c3ccccc3)c(C3C(C#N)=C(N)Oc4c3ccc3cccnc43)c2c1.
What is the InChIKey of 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The InChIKey is DINOZTYQZMAGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O/c1-16-9-12-22-20(14-16)24(25(32-22)17-6-3-2-4-7-17)23-19-11-10-18-8-5-13-31-26(18)27(19)33-28(30)21(23)15-29/h2-14,23,32H,30H2,1H3.
What are the key properties of 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile has a molecular weight of 428.50 g/mol, XLogP of 5.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile is sourced from PubChem (CID 135391943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).