2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one

C16H13Cl2N3O2 — CID 137258168

IUPAC2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one
SMILESO=c1[nH]c(NCC(O)c2cc(Cl)cc(Cl)c2)nc2ccccc12
InChIInChI=1S/C16H13Cl2N3O2/c17-10-5-9(6-11(18)7-10)14(22)8-19-16-20-13-4-2-1-3-12(13)15(23)21-16/h1-7,14,22H,8H2,(H2,19,20,21,23)
InChIKeyDJWOIOZRYWOYMS-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.38
Rot. Bonds4

About 2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one

2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one (PubChem CID 137258168) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is 2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one
PubChem CID137258168
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC Name2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one
SMILESO=c1[nH]c(NCC(O)c2cc(Cl)cc(Cl)c2)nc2ccccc12
InChIInChI=1S/C16H13Cl2N3O2/c17-10-5-9(6-11(18)7-10)14(22)8-19-16-20-13-4-2-1-3-12(13)15(23)21-16/h1-7,14,22H,8H2,(H2,19,20,21,23)
InChIKeyDJWOIOZRYWOYMS-UHFFFAOYSA-N
XLogP3.38
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3H-quinazolin-4-one
CID 136748011
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide
CID 137264161
2-[(1S)-1,3-dihydroxypropyl]-3H-quinazolin-4-one
CID 135404229
2-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3H-quinazolin-4-one
CID 136747967
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264056
6-[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135993692
2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one
CID 175537868
2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one
CID 137267444
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
CID 137264057
2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one
CID 137269880

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one?
The IUPAC name of 2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one (CID 137258168) is 2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one is O=c1[nH]c(NCC(O)c2cc(Cl)cc(Cl)c2)nc2ccccc12.
What is the InChIKey of 2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one?
The InChIKey is DJWOIOZRYWOYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2/c17-10-5-9(6-11(18)7-10)14(22)8-19-16-20-13-4-2-1-3-12(13)15(23)21-16/h1-7,14,22H,8H2,(H2,19,20,21,23).
What are the key properties of 2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one?
2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one has a molecular weight of 350.21 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one is sourced from PubChem (CID 137258168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).