7-fluoro-6-methoxy-4-[[(1S,2R)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile

C20H16FN3O — CID 146674060

IUPAC7-fluoro-6-methoxy-4-[[(1S,2R)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile
SMILESCOc1cc2c(N[C@H]3C[C@@H]3c3ccccc3)c(C#N)cnc2cc1F
InChIInChI=1S/C20H16FN3O/c1-25-19-8-15-17(9-16(19)21)23-11-13(10-22)20(15)24-18-7-14(18)12-5-3-2-4-6-12/h2-6,8-9,11,14,18H,7H2,1H3,(H,23,24)/t14-,18+/m1/s1
InChIKeyDWFRPOGTXMMJEU-KDOFPFPSSA-N
MW333.37 g/mol
LogP4.22
Rot. Bonds4

About 7-fluoro-6-methoxy-4-[[(1S,2R)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile

7-fluoro-6-methoxy-4-[[(1S,2R)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile (PubChem CID 146674060) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-[[(1S,2R)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-fluoro-6-methoxy-4-[[(1S,2R)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile
PubChem CID146674060
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name7-fluoro-6-methoxy-4-[[(1S,2R)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile
SMILESCOc1cc2c(N[C@H]3C[C@@H]3c3ccccc3)c(C#N)cnc2cc1F
InChIInChI=1S/C20H16FN3O/c1-25-19-8-15-17(9-16(19)21)23-11-13(10-22)20(15)24-18-7-14(18)12-5-3-2-4-6-12/h2-6,8-9,11,14,18H,7H2,1H3,(H,23,24)/t14-,18+/m1/s1
InChIKeyDWFRPOGTXMMJEU-KDOFPFPSSA-N
XLogP4.22
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-4-[[(1S,2R)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile?
The IUPAC name of 7-fluoro-6-methoxy-4-[[(1S,2R)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile (CID 146674060) is 7-fluoro-6-methoxy-4-[[(1S,2R)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile.
What is the SMILES notation for 7-fluoro-6-methoxy-4-[[(1S,2R)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile?
The canonical SMILES for 7-fluoro-6-methoxy-4-[[(1S,2R)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile is COc1cc2c(N[C@H]3C[C@@H]3c3ccccc3)c(C#N)cnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-4-[[(1S,2R)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile?
The InChIKey is DWFRPOGTXMMJEU-KDOFPFPSSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-25-19-8-15-17(9-16(19)21)23-11-13(10-22)20(15)24-18-7-14(18)12-5-3-2-4-6-12/h2-6,8-9,11,14,18H,7H2,1H3,(H,23,24)/t14-,18+/m1/s1.
What are the key properties of 7-fluoro-6-methoxy-4-[[(1S,2R)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile?
7-fluoro-6-methoxy-4-[[(1S,2R)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile has a molecular weight of 333.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-4-[[(1S,2R)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile is sourced from PubChem (CID 146674060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).