[4-[2-amino-4-(2-hydroxyethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone

C20H20N4O3S — CID 68601883

IUPAC[4-[2-amino-4-(2-hydroxyethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone
SMILESNc1nc(OCCO)c2cc(-c3ccc(C(=O)N4CCSC4)cc3)ccc2n1
InChIInChI=1S/C20H20N4O3S/c21-20-22-17-6-5-15(11-16(17)18(23-20)27-9-8-25)13-1-3-14(4-2-13)19(26)24-7-10-28-12-24/h1-6,11,25H,7-10,12H2,(H2,21,22,23)
InChIKeyMGHMSMVBRPBFGX-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.40
Rot. Bonds5

About [4-[2-amino-4-(2-hydroxyethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone

[4-[2-amino-4-(2-hydroxyethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone (PubChem CID 68601883) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is [4-[2-amino-4-(2-hydroxyethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-amino-4-(2-hydroxyethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone
PubChem CID68601883
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name[4-[2-amino-4-(2-hydroxyethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone
SMILESNc1nc(OCCO)c2cc(-c3ccc(C(=O)N4CCSC4)cc3)ccc2n1
InChIInChI=1S/C20H20N4O3S/c21-20-22-17-6-5-15(11-16(17)18(23-20)27-9-8-25)13-1-3-14(4-2-13)19(26)24-7-10-28-12-24/h1-6,11,25H,7-10,12H2,(H2,21,22,23)
InChIKeyMGHMSMVBRPBFGX-UHFFFAOYSA-N
XLogP2.40
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-aminoquinazolin-4-yl)oxyethanol
CID 80859584
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide
CID 87511779
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide
CID 68602190
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide
CID 68602490
1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122332091
1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one
CID 29184328
(4-methylsulfanylphenyl)-(1,3-thiazolidin-3-yl)methanone
CID 122332118
[4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 69015649
[4-[6-ethyl-2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 11955425
6-(1-benzothiophen-2-yl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-amine
CID 68603289
3-[4-[(2S)-2-amino-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]phenyl]benzoic acid
CID 23645387
4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine
CID 68600652

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-4-(2-hydroxyethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of [4-[2-amino-4-(2-hydroxyethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone (CID 68601883) is [4-[2-amino-4-(2-hydroxyethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for [4-[2-amino-4-(2-hydroxyethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for [4-[2-amino-4-(2-hydroxyethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone is Nc1nc(OCCO)c2cc(-c3ccc(C(=O)N4CCSC4)cc3)ccc2n1.
What is the InChIKey of [4-[2-amino-4-(2-hydroxyethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is MGHMSMVBRPBFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c21-20-22-17-6-5-15(11-16(17)18(23-20)27-9-8-25)13-1-3-14(4-2-13)19(26)24-7-10-28-12-24/h1-6,11,25H,7-10,12H2,(H2,21,22,23).
What are the key properties of [4-[2-amino-4-(2-hydroxyethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone?
[4-[2-amino-4-(2-hydroxyethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 396.47 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-4-(2-hydroxyethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 68601883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).