(8R,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile

C27H20N4O2 — CID 41132935

IUPAC(8R,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile
SMILESN#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccccc1
InChIInChI=1S/C27H20N4O2/c28-15-19-24(16-7-2-1-3-8-16)25-21(13-17(14-22(25)32)23-11-6-12-33-23)31-20-10-5-4-9-18(20)26(29)30-27(19)31/h1-12,17,24H,13-14H2,(H2,29,30)/t17-,24-/m1/s1
InChIKeyMUMUEGSTOZCQCO-MZNJEOGPSA-N
MW432.48 g/mol
LogP4.74
Rot. Bonds2

About (8R,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile

(8R,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile (PubChem CID 41132935) has the molecular formula C27H20N4O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is (8R,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile.

Molecular Properties

Compound Name(8R,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile
PubChem CID41132935
Molecular FormulaC27H20N4O2
Molecular Weight432.48 g/mol
Exact Mass432.16
IUPAC Name(8R,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile
SMILESN#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccccc1
InChIInChI=1S/C27H20N4O2/c28-15-19-24(16-7-2-1-3-8-16)25-21(13-17(14-22(25)32)23-11-6-12-33-23)31-20-10-5-4-9-18(20)26(29)30-27(19)31/h1-12,17,24H,13-14H2,(H2,29,30)/t17-,24-/m1/s1
InChIKeyMUMUEGSTOZCQCO-MZNJEOGPSA-N
XLogP4.74
TPSA95.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(8S,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-thiophen-3-yl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile
CID 41091755
(8S,11S)-5-amino-11-(furan-2-yl)-9-oxo-8-thiophen-2-yl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile
CID 41073741
5-amino-8-(4-ethoxyphenyl)-9-oxo-11-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile
CID 3429375
5-amino-8-(4-chlorophenyl)-9-oxo-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile
CID 15944679
5-amino-8-(4-chlorophenyl)-11,11-dimethyl-9-oxo-10,12-dihydro-8H-quinolino[1,2-a]quinazoline-7-carbonitrile
CID 3429442
(8R,11S)-8-cyclopenta-1,3-dien-1-yl-5-methyl-9-oxo-11-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile
CID 155602053
2-amino-1-(dimethylamino)-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3861305
(4S,7S)-2-amino-4-(1,3-benzodioxol-5-yl)-1-(2-cyanophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1012462
(4S,7R)-2-amino-1-(2-chlorophenyl)-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 6547984
(4R,7S)-2-amino-4-(4-chlorophenyl)-1-(dimethylamino)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1024491
(4S,7R)-2-amino-1-(dimethylamino)-4-(4-methylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1024472
2-amino-1-(dimethylamino)-4-(4-ethylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3563262

Frequently Asked Questions

What is the IUPAC name of (8R,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile?
The IUPAC name of (8R,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile (CID 41132935) is (8R,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile.
What is the SMILES notation for (8R,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile?
The canonical SMILES for (8R,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile is N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccccc1.
What is the InChIKey of (8R,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile?
The InChIKey is MUMUEGSTOZCQCO-MZNJEOGPSA-N. The full InChI is InChI=1S/C27H20N4O2/c28-15-19-24(16-7-2-1-3-8-16)25-21(13-17(14-22(25)32)23-11-6-12-33-23)31-20-10-5-4-9-18(20)26(29)30-27(19)31/h1-12,17,24H,13-14H2,(H2,29,30)/t17-,24-/m1/s1.
What are the key properties of (8R,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile?
(8R,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile has a molecular weight of 432.48 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,11R)-5-amino-11-(furan-2-yl)-9-oxo-8-phenyl-8,10,11,12-tetrahydroquinolino[1,2-a]quinazoline-7-carbonitrile is sourced from PubChem (CID 41132935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).