(2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile

C18H24N4OS — CID 9375491

IUPAC(2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile
SMILESCCN(CC)CCCn1c(S[C@H](C)C#N)nc2ccccc2c1=O
InChIInChI=1S/C18H24N4OS/c1-4-21(5-2)11-8-12-22-17(23)15-9-6-7-10-16(15)20-18(22)24-14(3)13-19/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3/t14-/m1/s1
InChIKeyTWDPJVXCZPJHMP-CQSZACIVSA-N
MW344.48 g/mol
LogP3.13
Rot. Bonds8

About (2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile

(2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile (PubChem CID 9375491) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile.

Molecular Properties

Compound Name(2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile
PubChem CID9375491
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile
SMILESCCN(CC)CCCn1c(S[C@H](C)C#N)nc2ccccc2c1=O
InChIInChI=1S/C18H24N4OS/c1-4-21(5-2)11-8-12-22-17(23)15-9-6-7-10-16(15)20-18(22)24-14(3)13-19/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3/t14-/m1/s1
InChIKeyTWDPJVXCZPJHMP-CQSZACIVSA-N
XLogP3.13
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[3-[2-[di(propan-2-yl)amino]ethyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile
CID 7557759
(2S)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide
CID 9375533
2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 40727739
3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
CID 23736145
(2R)-N-(3-chloro-2-methylphenyl)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 27454820
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanenitrile
CID 7427802
2-(chloromethyl)-3-[3-(diethylamino)propyl]quinazolin-4-one
CID 61064400
N-tert-butyl-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 9375437
(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile
CID 2488390
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile
CID 8520974
(2R)-2-[2-[(1S)-1-cyanoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxypropanenitrile
CID 935836
(2R)-2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile
CID 7798464

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile?
The IUPAC name of (2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile (CID 9375491) is (2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile.
What is the SMILES notation for (2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile?
The canonical SMILES for (2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile is CCN(CC)CCCn1c(S[C@H](C)C#N)nc2ccccc2c1=O.
What is the InChIKey of (2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile?
The InChIKey is TWDPJVXCZPJHMP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-4-21(5-2)11-8-12-22-17(23)15-9-6-7-10-16(15)20-18(22)24-14(3)13-19/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile?
(2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile has a molecular weight of 344.48 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile is sourced from PubChem (CID 9375491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).