4-amino-6-[2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile

C22H22FN7O — CID 122441838

IUPAC4-amino-6-[2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1N1CCCC1c1cc2ccc(F)cc2nc1N1CCOCC1
InChIInChI=1S/C22H22FN7O/c23-15-4-3-14-10-16(22(28-18(14)11-15)29-6-8-31-9-7-29)19-2-1-5-30(19)21-17(12-24)20(25)26-13-27-21/h3-4,10-11,13,19H,1-2,5-9H2,(H2,25,26,27)
InChIKeyCNNVISSMGRRJFB-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.80
Rot. Bonds3

About 4-amino-6-[2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile

4-amino-6-[2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile (PubChem CID 122441838) has the molecular formula C22H22FN7O and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-amino-6-[2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile
PubChem CID122441838
Molecular FormulaC22H22FN7O
Molecular Weight419.46 g/mol
Exact Mass419.19
IUPAC Name4-amino-6-[2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1N1CCCC1c1cc2ccc(F)cc2nc1N1CCOCC1
InChIInChI=1S/C22H22FN7O/c23-15-4-3-14-10-16(22(28-18(14)11-15)29-6-8-31-9-7-29)19-2-1-5-30(19)21-17(12-24)20(25)26-13-27-21/h3-4,10-11,13,19H,1-2,5-9H2,(H2,25,26,27)
InChIKeyCNNVISSMGRRJFB-UHFFFAOYSA-N
XLogP2.80
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile (CID 122441838) is 4-amino-6-[2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile is N#Cc1c(N)ncnc1N1CCCC1c1cc2ccc(F)cc2nc1N1CCOCC1.
What is the InChIKey of 4-amino-6-[2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile?
The InChIKey is CNNVISSMGRRJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O/c23-15-4-3-14-10-16(22(28-18(14)11-15)29-6-8-31-9-7-29)19-2-1-5-30(19)21-17(12-24)20(25)26-13-27-21/h3-4,10-11,13,19H,1-2,5-9H2,(H2,25,26,27).
What are the key properties of 4-amino-6-[2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile?
4-amino-6-[2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile has a molecular weight of 419.46 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 122441838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).