N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine

C18H25Cl2N3O — CID 119125033

IUPACN-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCC(CN1CCN(C)CC1)NCC1=Cc2cc(Cl)cc(Cl)c2OC1
InChIInChI=1S/C18H25Cl2N3O/c1-13(11-23-5-3-22(2)4-6-23)21-10-14-7-15-8-16(19)9-17(20)18(15)24-12-14/h7-9,13,21H,3-6,10-12H2,1-2H3
InChIKeyPODCZAXZNGOQCW-UHFFFAOYSA-N
MW370.32 g/mol
LogP2.99
Rot. Bonds5

About N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine

N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine (PubChem CID 119125033) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
PubChem CID119125033
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC NameN-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCC(CN1CCN(C)CC1)NCC1=Cc2cc(Cl)cc(Cl)c2OC1
InChIInChI=1S/C18H25Cl2N3O/c1-13(11-23-5-3-22(2)4-6-23)21-10-14-7-15-8-16(19)9-17(20)18(15)24-12-14/h7-9,13,21H,3-6,10-12H2,1-2H3
InChIKeyPODCZAXZNGOQCW-UHFFFAOYSA-N
XLogP2.99
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
The IUPAC name of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine (CID 119125033) is N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine is CC(CN1CCN(C)CC1)NCC1=Cc2cc(Cl)cc(Cl)c2OC1.
What is the InChIKey of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
The InChIKey is PODCZAXZNGOQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N3O/c1-13(11-23-5-3-22(2)4-6-23)21-10-14-7-15-8-16(19)9-17(20)18(15)24-12-14/h7-9,13,21H,3-6,10-12H2,1-2H3.
What are the key properties of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine has a molecular weight of 370.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 119125033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).