5-[[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxamide

C25H28F2N6O2 — CID 123253200

IUPAC5-[[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCc1c(CC2CCC(C(N)=O)N2)nc2cc(F)cc(F)c2c1Nc1cncc(N2CCOCC2)c1
InChIInChI=1S/C25H28F2N6O2/c1-14-21(11-16-2-3-20(30-16)25(28)34)32-22-9-15(26)8-19(27)23(22)24(14)31-17-10-18(13-29-12-17)33-4-6-35-7-5-33/h8-10,12-13,16,20,30H,2-7,11H2,1H3,(H2,28,34)(H,31,32)
InChIKeyWDWBFTLSMSSLDU-UHFFFAOYSA-N
MW482.54 g/mol
LogP2.95
Rot. Bonds6

About 5-[[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxamide

5-[[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 123253200) has the molecular formula C25H28F2N6O2 and a molecular weight of 482.54 g/mol. Its IUPAC name is 5-[[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-[[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID123253200
Molecular FormulaC25H28F2N6O2
Molecular Weight482.54 g/mol
Exact Mass482.22
IUPAC Name5-[[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCc1c(CC2CCC(C(N)=O)N2)nc2cc(F)cc(F)c2c1Nc1cncc(N2CCOCC2)c1
InChIInChI=1S/C25H28F2N6O2/c1-14-21(11-16-2-3-20(30-16)25(28)34)32-22-9-15(26)8-19(27)23(22)24(14)31-17-10-18(13-29-12-17)33-4-6-35-7-5-33/h8-10,12-13,16,20,30H,2-7,11H2,1H3,(H2,28,34)(H,31,32)
InChIKeyWDWBFTLSMSSLDU-UHFFFAOYSA-N
XLogP2.95
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-[[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxamide (CID 123253200) is 5-[[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-[[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-[[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxamide is Cc1c(CC2CCC(C(N)=O)N2)nc2cc(F)cc(F)c2c1Nc1cncc(N2CCOCC2)c1.
What is the InChIKey of 5-[[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is WDWBFTLSMSSLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N6O2/c1-14-21(11-16-2-3-20(30-16)25(28)34)32-22-9-15(26)8-19(27)23(22)24(14)31-17-10-18(13-29-12-17)33-4-6-35-7-5-33/h8-10,12-13,16,20,30H,2-7,11H2,1H3,(H2,28,34)(H,31,32).
What are the key properties of 5-[[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxamide?
5-[[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123253200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).