1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)piperidin-4-amine

C25H29ClFN5O2 — CID 44529199

IUPAC1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)piperidin-4-amine
SMILESCOc1nc2c(CCN3CCC(NCc4ccc5c(c4)NCCO5)CC3)c(Cl)cnc2cc1F
InChIInChI=1S/C25H29ClFN5O2/c1-33-25-20(27)13-22-24(31-25)18(19(26)15-30-22)6-10-32-8-4-17(5-9-32)29-14-16-2-3-23-21(12-16)28-7-11-34-23/h2-3,12-13,15,17,28-29H,4-11,14H2,1H3
InChIKeyHWOIQHMZNYSLRV-UHFFFAOYSA-N
MW485.99 g/mol
LogP4.03
Rot. Bonds7

About 1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)piperidin-4-amine

1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)piperidin-4-amine (PubChem CID 44529199) has the molecular formula C25H29ClFN5O2 and a molecular weight of 485.99 g/mol. Its IUPAC name is 1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)piperidin-4-amine
PubChem CID44529199
Molecular FormulaC25H29ClFN5O2
Molecular Weight485.99 g/mol
Exact Mass485.20
IUPAC Name1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)piperidin-4-amine
SMILESCOc1nc2c(CCN3CCC(NCc4ccc5c(c4)NCCO5)CC3)c(Cl)cnc2cc1F
InChIInChI=1S/C25H29ClFN5O2/c1-33-25-20(27)13-22-24(31-25)18(19(26)15-30-22)6-10-32-8-4-17(5-9-32)29-14-16-2-3-23-21(12-16)28-7-11-34-23/h2-3,12-13,15,17,28-29H,4-11,14H2,1H3
InChIKeyHWOIQHMZNYSLRV-UHFFFAOYSA-N
XLogP4.03
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)piperidin-4-amine with MolForge

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Related Compounds

N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride
CID 10097081
6-[[[1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one;hydrochloride
CID 44529509
4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile
CID 44528580
4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxyquinoline-3-carbonitrile;hydrochloride
CID 44529095
1-[2-(9-chloro-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;dihydrochloride
CID 10348005
4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
CID 10343587
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 72999723
7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one
CID 24888266
6-[[[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 59398425
7-chloro-1-methyl-8-[2-[4-([1,3]oxathiolo[5,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 24890653
2-[[4-[(7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methylamino]piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
CID 139502694
8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1-methylquinolin-2-one;dihydrochloride
CID 68514517

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)piperidin-4-amine (CID 44529199) is 1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)piperidin-4-amine is COc1nc2c(CCN3CCC(NCc4ccc5c(c4)NCCO5)CC3)c(Cl)cnc2cc1F.
What is the InChIKey of 1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)piperidin-4-amine?
The InChIKey is HWOIQHMZNYSLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFN5O2/c1-33-25-20(27)13-22-24(31-25)18(19(26)15-30-22)6-10-32-8-4-17(5-9-32)29-14-16-2-3-23-21(12-16)28-7-11-34-23/h2-3,12-13,15,17,28-29H,4-11,14H2,1H3.
What are the key properties of 1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)piperidin-4-amine?
1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)piperidin-4-amine has a molecular weight of 485.99 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 44529199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).