N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide

C24H31N3O3 — CID 76901174

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide
SMILESO=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C24H31N3O3/c28-23(18-27-9-8-20-5-1-2-6-22(20)17-27)15-25-24(29)21-7-3-4-19(14-21)16-26-10-12-30-13-11-26/h1-7,14,23,28H,8-13,15-18H2,(H,25,29)
InChIKeyAEQPZRDGTOSHNI-UHFFFAOYSA-N
MW409.53 g/mol
LogP1.67
Rot. Bonds7

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide (PubChem CID 76901174) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide
PubChem CID76901174
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide
SMILESO=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C24H31N3O3/c28-23(18-27-9-8-20-5-1-2-6-22(20)17-27)15-25-24(29)21-7-3-4-19(14-21)16-26-10-12-30-13-11-26/h1-7,14,23,28H,8-13,15-18H2,(H,25,29)
InChIKeyAEQPZRDGTOSHNI-UHFFFAOYSA-N
XLogP1.67
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 24979575
4-[2-(Aminomethyl)naphthalen-1-Yl]-N-[2-(Morpholin-4-Yl)ethyl]benzamide
CID 56962331
2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 2826521
2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 2201629
3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 2906063
2-[3-(4-morpholinyl)-3-oxopropyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 2839452
N-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide
CID 44578534
2-(4-bromobenzoyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 152123486
2,4,6-Trimethyl-N-(3-morpholin-4-yl-propyl)-benzamide
CID 3126370
N-[2-(morpholin-4-yl)ethyl]naphthalene-2-carboxamide
CID 1082794
N-[3-(4-morpholinyl)propyl]-2-biphenylcarboxamide
CID 2199608
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 2985306

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide (CID 76901174) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide is O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide?
The InChIKey is AEQPZRDGTOSHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c28-23(18-27-9-8-20-5-1-2-6-22(20)17-27)15-25-24(29)21-7-3-4-19(14-21)16-26-10-12-30-13-11-26/h1-7,14,23,28H,8-13,15-18H2,(H,25,29).
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide has a molecular weight of 409.53 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 76901174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).