6-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpyridine-3-carbonitrile

C19H18N4O2S — CID 18272945

IUPAC6-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpyridine-3-carbonitrile
SMILESCCOCCCn1c(Sc2ccc(C#N)cn2)nc2ccccc2c1=O
InChIInChI=1S/C19H18N4O2S/c1-2-25-11-5-10-23-18(24)15-6-3-4-7-16(15)22-19(23)26-17-9-8-14(12-20)13-21-17/h3-4,6-9,13H,2,5,10-11H2,1H3
InChIKeyWCZMWNABJXEODM-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.24
Rot. Bonds7

About 6-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpyridine-3-carbonitrile

6-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpyridine-3-carbonitrile (PubChem CID 18272945) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 6-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpyridine-3-carbonitrile
PubChem CID18272945
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name6-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpyridine-3-carbonitrile
SMILESCCOCCCn1c(Sc2ccc(C#N)cn2)nc2ccccc2c1=O
InChIInChI=1S/C19H18N4O2S/c1-2-25-11-5-10-23-18(24)15-6-3-4-7-16(15)22-19(23)26-17-9-8-14(12-20)13-21-17/h3-4,6-9,13H,2,5,10-11H2,1H3
InChIKeyWCZMWNABJXEODM-UHFFFAOYSA-N
XLogP3.24
TPSA80.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-amino-2-[2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]but-2-enenitrile
CID 6256075
(2R)-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide
CID 2617250
(2S)-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 2638620
2-[(2,4-difluorophenyl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one
CID 51365613
N-(4-cyanophenyl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7803428
2-[1,2-bis(4-methylphenyl)-2-oxoethyl]sulfanyl-3-(3-ethoxypropyl)quinazolin-4-one
CID 16538776
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one
CID 4828131
N-(2-chlorophenyl)-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3149128
3-[[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]benzonitrile
CID 42157039
2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2276278
2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 2696328
2-benzylsulfanyl-7-chloro-3-(3-ethoxypropyl)quinazolin-4-one
CID 55357472

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpyridine-3-carbonitrile (CID 18272945) is 6-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpyridine-3-carbonitrile is CCOCCCn1c(Sc2ccc(C#N)cn2)nc2ccccc2c1=O.
What is the InChIKey of 6-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpyridine-3-carbonitrile?
The InChIKey is WCZMWNABJXEODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-2-25-11-5-10-23-18(24)15-6-3-4-7-16(15)22-19(23)26-17-9-8-14(12-20)13-21-17/h3-4,6-9,13H,2,5,10-11H2,1H3.
What are the key properties of 6-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpyridine-3-carbonitrile?
6-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpyridine-3-carbonitrile has a molecular weight of 366.45 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 18272945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).