(4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile

C24H17N3O2 — CID 1135142

IUPAC(4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
SMILESCc1ccc2[nH]c(=O)c([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1
InChIInChI=1S/C24H17N3O2/c1-13-6-9-20-15(10-13)11-18(24(28)27-20)21-17-8-7-14-4-2-3-5-16(14)22(17)29-23(26)19(21)12-25/h2-11,21H,26H2,1H3,(H,27,28)/t21-/m0/s1
InChIKeyQSIWSZDBHBEGPW-NRFANRHFSA-N
MW379.42 g/mol
LogP4.21
Rot. Bonds1

About (4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile

(4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile (PubChem CID 1135142) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is (4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
PubChem CID1135142
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name(4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
SMILESCc1ccc2[nH]c(=O)c([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1
InChIInChI=1S/C24H17N3O2/c1-13-6-9-20-15(10-13)11-18(24(28)27-20)21-17-8-7-14-4-2-3-5-16(14)22(17)29-23(26)19(21)12-25/h2-11,21H,26H2,1H3,(H,27,28)/t21-/m0/s1
InChIKeyQSIWSZDBHBEGPW-NRFANRHFSA-N
XLogP4.21
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(6-methyl-2-oxochromen-4-yl)-4H-benzo[h]chromene-3-carbonitrile
CID 155813506
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(4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 2303203
ethyl (4R)-6-amino-5-cyano-2-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate
CID 1135124
(4S)-2-amino-4-(3-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 793791
(4R)-2-amino-4-(2-chloro-5,7-dimethylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
CID 1076883
(4R)-2-amino-4-(2-nitrophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 40548919
(4R)-2-amino-4-(2,3-dimethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 1378092
2-amino-4-(2-ethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 2840046
2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 135391943
(4R)-2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 700282
(4S)-2-amino-4-propan-2-yl-4H-benzo[h]chromene-3-carbonitrile
CID 124891273

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile?
The IUPAC name of (4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile (CID 1135142) is (4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile is Cc1ccc2[nH]c(=O)c([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1.
What is the InChIKey of (4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile?
The InChIKey is QSIWSZDBHBEGPW-NRFANRHFSA-N. The full InChI is InChI=1S/C24H17N3O2/c1-13-6-9-20-15(10-13)11-18(24(28)27-20)21-17-8-7-14-4-2-3-5-16(14)22(17)29-23(26)19(21)12-25/h2-11,21H,26H2,1H3,(H,27,28)/t21-/m0/s1.
What are the key properties of (4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile?
(4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile has a molecular weight of 379.42 g/mol, XLogP of 4.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile is sourced from PubChem (CID 1135142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).