(4-bromophenyl)-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone

C20H19BrN2O3 — CID 71709369

IUPAC(4-bromophenyl)-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone
SMILESCc1ncc(CN2CCOCC2)c2cc(C(=O)c3ccc(Br)cc3)oc12
InChIInChI=1S/C20H19BrN2O3/c1-13-20-17(15(11-22-13)12-23-6-8-25-9-7-23)10-18(26-20)19(24)14-2-4-16(21)5-3-14/h2-5,10-11H,6-9,12H2,1H3
InChIKeyVDLVJBYQNUQMSK-UHFFFAOYSA-N
MW415.29 g/mol
LogP3.96
Rot. Bonds4

About (4-bromophenyl)-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone

(4-bromophenyl)-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone (PubChem CID 71709369) has the molecular formula C20H19BrN2O3 and a molecular weight of 415.29 g/mol. Its IUPAC name is (4-bromophenyl)-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone
PubChem CID71709369
Molecular FormulaC20H19BrN2O3
Molecular Weight415.29 g/mol
Exact Mass414.06
IUPAC Name(4-bromophenyl)-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone
SMILESCc1ncc(CN2CCOCC2)c2cc(C(=O)c3ccc(Br)cc3)oc12
InChIInChI=1S/C20H19BrN2O3/c1-13-20-17(15(11-22-13)12-23-6-8-25-9-7-23)10-18(26-20)19(24)14-2-4-16(21)5-3-14/h2-5,10-11H,6-9,12H2,1H3
InChIKeyVDLVJBYQNUQMSK-UHFFFAOYSA-N
XLogP3.96
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-bromophenyl)-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone with MolForge

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Related Compounds

(4-bromophenyl)-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone
CID 71704801
N-[3-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridine-2-carbonyl]phenyl]furan-2-carboxamide
CID 75489001
6,7-dimethyl-4-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one
CID 71705186
(2,4-dimethylphenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724237
1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride
CID 24747690
7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one
CID 71703081
N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide
CID 70622393
3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid
CID 167586805
1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid
CID 117175278
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine
CID 139210695
N-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 4268320

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone?
The IUPAC name of (4-bromophenyl)-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone (CID 71709369) is (4-bromophenyl)-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone is Cc1ncc(CN2CCOCC2)c2cc(C(=O)c3ccc(Br)cc3)oc12.
What is the InChIKey of (4-bromophenyl)-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone?
The InChIKey is VDLVJBYQNUQMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3/c1-13-20-17(15(11-22-13)12-23-6-8-25-9-7-23)10-18(26-20)19(24)14-2-4-16(21)5-3-14/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of (4-bromophenyl)-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone?
(4-bromophenyl)-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone has a molecular weight of 415.29 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone is sourced from PubChem (CID 71709369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).