2-amino-4-(2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile

C27H22N4O2 — CID 56673144

IUPAC2-amino-4-(2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccc3ccccc23)C1c1cc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C27H22N4O2/c28-16-22-24(20-10-9-17-5-1-3-7-19(17)25(20)33-26(22)29)21-15-18-6-2-4-8-23(18)30-27(21)31-11-13-32-14-12-31/h1-10,15,24H,11-14,29H2
InChIKeyHTLTVXLIJLGWPW-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.44
Rot. Bonds2

About 2-amino-4-(2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile

2-amino-4-(2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile (PubChem CID 56673144) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-amino-4-(2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
PubChem CID56673144
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC Name2-amino-4-(2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccc3ccccc23)C1c1cc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C27H22N4O2/c28-16-22-24(20-10-9-17-5-1-3-7-19(17)25(20)33-26(22)29)21-15-18-6-2-4-8-23(18)30-27(21)31-11-13-32-14-12-31/h1-10,15,24H,11-14,29H2
InChIKeyHTLTVXLIJLGWPW-UHFFFAOYSA-N
XLogP4.44
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
CID 1130171
(4R)-2-amino-4-(2-chloro-5,7-dimethylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
CID 1076883
2-amino-4-(2,3-dihydro-1-benzofuran-6-yl)-4H-benzo[h]chromene-3-carbonitrile
CID 90665319
(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
(4R)-2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 700282
(4S)-2-amino-4-(3-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 793791
2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 56673146
(4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
CID 1135142
(4R)-2-amino-4-(3-bromo-4-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 1379850
(4S)-2-amino-4-propan-2-yl-4H-benzo[h]chromene-3-carbonitrile
CID 124891273

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile (CID 56673144) is 2-amino-4-(2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile is N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1cc2ccccc2nc1N1CCOCC1.
What is the InChIKey of 2-amino-4-(2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile?
The InChIKey is HTLTVXLIJLGWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2/c28-16-22-24(20-10-9-17-5-1-3-7-19(17)25(20)33-26(22)29)21-15-18-6-2-4-8-23(18)30-27(21)31-11-13-32-14-12-31/h1-10,15,24H,11-14,29H2.
What are the key properties of 2-amino-4-(2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile?
2-amino-4-(2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile has a molecular weight of 434.50 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile is sourced from PubChem (CID 56673144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).