4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

C30H28F2N6O3 — CID 66632404

IUPAC4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1=CCN(C(=O)O)CC1
InChIInChI=1S/C30H28F2N6O3/c1-18-28(23-4-2-3-7-33-23)36-25-15-20(31)14-22(32)27(25)29(18)35-24-16-26(37-10-12-41-13-11-37)34-17-21(24)19-5-8-38(9-6-19)30(39)40/h2-5,7,14-17H,6,8-13H2,1H3,(H,39,40)(H,34,35,36)
InChIKeyKHJVWNXUUFVEJM-UHFFFAOYSA-N
MW558.59 g/mol
LogP5.63
Rot. Bonds5

About 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 66632404) has the molecular formula C30H28F2N6O3 and a molecular weight of 558.59 g/mol. Its IUPAC name is 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID66632404
Molecular FormulaC30H28F2N6O3
Molecular Weight558.59 g/mol
Exact Mass558.22
IUPAC Name4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1=CCN(C(=O)O)CC1
InChIInChI=1S/C30H28F2N6O3/c1-18-28(23-4-2-3-7-33-23)36-25-15-20(31)14-22(32)27(25)29(18)35-24-16-26(37-10-12-41-13-11-37)34-17-21(24)19-5-8-38(9-6-19)30(39)40/h2-5,7,14-17H,6,8-13H2,1H3,(H,39,40)(H,34,35,36)
InChIKeyKHJVWNXUUFVEJM-UHFFFAOYSA-N
XLogP5.63
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.59
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 66632404) is 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1=CCN(C(=O)O)CC1.
What is the InChIKey of 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is KHJVWNXUUFVEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N6O3/c1-18-28(23-4-2-3-7-33-23)36-25-15-20(31)14-22(32)27(25)29(18)35-24-16-26(37-10-12-41-13-11-37)34-17-21(24)19-5-8-38(9-6-19)30(39)40/h2-5,7,14-17H,6,8-13H2,1H3,(H,39,40)(H,34,35,36).
What are the key properties of 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 558.59 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 66632404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).