(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

C25H18N4O2S — CID 41091755

IUPAC(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
SMILESN#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccsc1
InChIInChI=1S/C25H18N4O2S/c26-12-17-22(14-7-9-32-13-14)23-19(10-15(11-20(23)30)21-6-3-8-31-21)29-18-5-2-1-4-16(18)24(27)28-25(17)29/h1-9,13,15,22H,10-11H2,(H2,27,28)/t15-,22+/m1/s1
InChIKeyCVAXVTAFSMQGHK-QRQCRPRQSA-N
MW438.51 g/mol
LogP4.80
Rot. Bonds2

About (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

(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 (PubChem CID 41091755) has the molecular formula C25H18N4O2S and a molecular weight of 438.51 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID41091755
Molecular FormulaC25H18N4O2S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name(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
SMILESN#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccsc1
InChIInChI=1S/C25H18N4O2S/c26-12-17-22(14-7-9-32-13-14)23-19(10-15(11-20(23)30)21-6-3-8-31-21)29-18-5-2-1-4-16(18)24(27)28-25(17)29/h1-9,13,15,22H,10-11H2,(H2,27,28)/t15-,22+/m1/s1
InChIKeyCVAXVTAFSMQGHK-QRQCRPRQSA-N
XLogP4.80
TPSA95.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccsc1.
What is the InChIKey of (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?
The InChIKey is CVAXVTAFSMQGHK-QRQCRPRQSA-N. The full InChI is InChI=1S/C25H18N4O2S/c26-12-17-22(14-7-9-32-13-14)23-19(10-15(11-20(23)30)21-6-3-8-31-21)29-18-5-2-1-4-16(18)24(27)28-25(17)29/h1-9,13,15,22H,10-11H2,(H2,27,28)/t15-,22+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 438.51 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 41091755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).