N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C28H30FN5O — CID 59631388

IUPACN-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(CN(C)C)cc(N2CCOCC2)c1
InChIInChI=1S/C28H30FN5O/c1-19-27(24-8-7-21(29)16-26(24)32-28(19)25-6-4-5-9-30-25)31-22-14-20(18-33(2)3)15-23(17-22)34-10-12-35-13-11-34/h4-9,14-17H,10-13,18H2,1-3H3,(H,31,32)
InChIKeyPOSQWTIQODDRRO-UHFFFAOYSA-N
MW471.58 g/mol
LogP5.39
Rot. Bonds6

About N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631388) has the molecular formula C28H30FN5O and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631388
Molecular FormulaC28H30FN5O
Molecular Weight471.58 g/mol
Exact Mass471.24
IUPAC NameN-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(CN(C)C)cc(N2CCOCC2)c1
InChIInChI=1S/C28H30FN5O/c1-19-27(24-8-7-21(29)16-26(24)32-28(19)25-6-4-5-9-30-25)31-22-14-20(18-33(2)3)15-23(17-22)34-10-12-35-13-11-34/h4-9,14-17H,10-13,18H2,1-3H3,(H,31,32)
InChIKeyPOSQWTIQODDRRO-UHFFFAOYSA-N
XLogP5.39
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 59631388) is N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(CN(C)C)cc(N2CCOCC2)c1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is POSQWTIQODDRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O/c1-19-27(24-8-7-21(29)16-26(24)32-28(19)25-6-4-5-9-30-25)31-22-14-20(18-33(2)3)15-23(17-22)34-10-12-35-13-11-34/h4-9,14-17H,10-13,18H2,1-3H3,(H,31,32).
What are the key properties of N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 471.58 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).