7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one

C16H15ClN6O3 — CID 163304992

IUPAC7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one
SMILESCn1nnnc1C1CN(C(=O)c2c[nH]c3cc(Cl)ccc3c2=O)CCO1
InChIInChI=1S/C16H15ClN6O3/c1-22-15(19-20-21-22)13-8-23(4-5-26-13)16(25)11-7-18-12-6-9(17)2-3-10(12)14(11)24/h2-3,6-7,13H,4-5,8H2,1H3,(H,18,24)
InChIKeyGULZESAFDJYUFT-UHFFFAOYSA-N
MW374.79 g/mol
LogP0.92
Rot. Bonds2

About 7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one

7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one (PubChem CID 163304992) has the molecular formula C16H15ClN6O3 and a molecular weight of 374.79 g/mol. Its IUPAC name is 7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one
PubChem CID163304992
Molecular FormulaC16H15ClN6O3
Molecular Weight374.79 g/mol
Exact Mass374.09
IUPAC Name7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one
SMILESCn1nnnc1C1CN(C(=O)c2c[nH]c3cc(Cl)ccc3c2=O)CCO1
InChIInChI=1S/C16H15ClN6O3/c1-22-15(19-20-21-22)13-8-23(4-5-26-13)16(25)11-7-18-12-6-9(17)2-3-10(12)14(11)24/h2-3,6-7,13H,4-5,8H2,1H3,(H,18,24)
InChIKeyGULZESAFDJYUFT-UHFFFAOYSA-N
XLogP0.92
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.79
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 163309470
2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one
CID 165420118
[1-(4-chlorophenyl)cyclobutyl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157015742
3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one
CID 81197737
3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one
CID 157014401
7-chloro-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 70739458
(5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157017306
(5-chloro-2-methoxyphenyl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128967021
N-[(3aS,5R,6R,7aR)-2-(7-chloro-4-oxo-1H-quinoline-3-carbonyl)-6-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172674318
7-chloro-3-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-quinolin-4-one
CID 163312786
7-chloro-3-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-4-one
CID 72847364
7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
CID 54380984

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one (CID 163304992) is 7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one is Cn1nnnc1C1CN(C(=O)c2c[nH]c3cc(Cl)ccc3c2=O)CCO1.
What is the InChIKey of 7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one?
The InChIKey is GULZESAFDJYUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O3/c1-22-15(19-20-21-22)13-8-23(4-5-26-13)16(25)11-7-18-12-6-9(17)2-3-10(12)14(11)24/h2-3,6-7,13H,4-5,8H2,1H3,(H,18,24).
What are the key properties of 7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one?
7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one has a molecular weight of 374.79 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 163304992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).