2-[bis(2-hydroxyethyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride

C15H22ClN3O4 — CID 70682570

IUPAC2-[bis(2-hydroxyethyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride
SMILESCl.O=C1CCc2c(cccc2NC(=O)CN(CCO)CCO)N1
InChIInChI=1S/C15H21N3O4.ClH/c19-8-6-18(7-9-20)10-15(22)17-13-3-1-2-12-11(13)4-5-14(21)16-12;/h1-3,19-20H,4-10H2,(H,16,21)(H,17,22);1H
InChIKeyNSUHDKVBAHAHTI-UHFFFAOYSA-N
MW343.81 g/mol
LogP0.22
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride

2-[bis(2-hydroxyethyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride (PubChem CID 70682570) has the molecular formula C15H22ClN3O4 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride
PubChem CID70682570
Molecular FormulaC15H22ClN3O4
Molecular Weight343.81 g/mol
Exact Mass343.13
IUPAC Name2-[bis(2-hydroxyethyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride
SMILESCl.O=C1CCc2c(cccc2NC(=O)CN(CCO)CCO)N1
InChIInChI=1S/C15H21N3O4.ClH/c19-8-6-18(7-9-20)10-15(22)17-13-3-1-2-12-11(13)4-5-14(21)16-12;/h1-3,19-20H,4-10H2,(H,16,21)(H,17,22);1H
InChIKeyNSUHDKVBAHAHTI-UHFFFAOYSA-N
XLogP0.22
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride (CID 70682570) is 2-[bis(2-hydroxyethyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride is Cl.O=C1CCc2c(cccc2NC(=O)CN(CCO)CCO)N1.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride?
The InChIKey is NSUHDKVBAHAHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4.ClH/c19-8-6-18(7-9-20)10-15(22)17-13-3-1-2-12-11(13)4-5-14(21)16-12;/h1-3,19-20H,4-10H2,(H,16,21)(H,17,22);1H.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride?
2-[bis(2-hydroxyethyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride has a molecular weight of 343.81 g/mol, XLogP of 0.22, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 70682570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).