4-[1-[5,7-difluoro-3-methyl-2-(1-phenylcyclopropyl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

C32H32F2N4O — CID 50939595

IUPAC4-[1-[5,7-difluoro-3-methyl-2-(1-phenylcyclopropyl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
SMILESCc1c(C2(c3ccccc3)CC2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C32H32F2N4O/c1-20-28(38-19-31(2,3)30-26(38)17-23(18-35-30)37-11-13-39-14-12-37)27-24(34)15-22(33)16-25(27)36-29(20)32(9-10-32)21-7-5-4-6-8-21/h4-8,15-18H,9-14,19H2,1-3H3
InChIKeyLFQAMVCZGWVYJD-UHFFFAOYSA-N
MW526.63 g/mol
LogP6.56
Rot. Bonds4

About 4-[1-[5,7-difluoro-3-methyl-2-(1-phenylcyclopropyl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

4-[1-[5,7-difluoro-3-methyl-2-(1-phenylcyclopropyl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (PubChem CID 50939595) has the molecular formula C32H32F2N4O and a molecular weight of 526.63 g/mol. Its IUPAC name is 4-[1-[5,7-difluoro-3-methyl-2-(1-phenylcyclopropyl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-[5,7-difluoro-3-methyl-2-(1-phenylcyclopropyl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
PubChem CID50939595
Molecular FormulaC32H32F2N4O
Molecular Weight526.63 g/mol
Exact Mass526.25
IUPAC Name4-[1-[5,7-difluoro-3-methyl-2-(1-phenylcyclopropyl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
SMILESCc1c(C2(c3ccccc3)CC2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C32H32F2N4O/c1-20-28(38-19-31(2,3)30-26(38)17-23(18-35-30)37-11-13-39-14-12-37)27-24(34)15-22(33)16-25(27)36-29(20)32(9-10-32)21-7-5-4-6-8-21/h4-8,15-18H,9-14,19H2,1-3H3
InChIKeyLFQAMVCZGWVYJD-UHFFFAOYSA-N
XLogP6.56
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.63
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-[5,7-difluoro-3-methyl-2-(1-phenylcyclopropyl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5,7-difluoro-3-methyl-2-(1-phenylcyclopropyl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The IUPAC name of 4-[1-[5,7-difluoro-3-methyl-2-(1-phenylcyclopropyl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (CID 50939595) is 4-[1-[5,7-difluoro-3-methyl-2-(1-phenylcyclopropyl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.
What is the SMILES notation for 4-[1-[5,7-difluoro-3-methyl-2-(1-phenylcyclopropyl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The canonical SMILES for 4-[1-[5,7-difluoro-3-methyl-2-(1-phenylcyclopropyl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is Cc1c(C2(c3ccccc3)CC2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21.
What is the InChIKey of 4-[1-[5,7-difluoro-3-methyl-2-(1-phenylcyclopropyl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The InChIKey is LFQAMVCZGWVYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N4O/c1-20-28(38-19-31(2,3)30-26(38)17-23(18-35-30)37-11-13-39-14-12-37)27-24(34)15-22(33)16-25(27)36-29(20)32(9-10-32)21-7-5-4-6-8-21/h4-8,15-18H,9-14,19H2,1-3H3.
What are the key properties of 4-[1-[5,7-difluoro-3-methyl-2-(1-phenylcyclopropyl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
4-[1-[5,7-difluoro-3-methyl-2-(1-phenylcyclopropyl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine has a molecular weight of 526.63 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5,7-difluoro-3-methyl-2-(1-phenylcyclopropyl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 50939595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).