methyl 3-[4-[(4-cyclopropylnaphthalen-1-yl)amino]quinazolin-2-yl]sulfanylpropanoate

C25H23N3O2S — CID 175345383

IUPACmethyl 3-[4-[(4-cyclopropylnaphthalen-1-yl)amino]quinazolin-2-yl]sulfanylpropanoate
SMILESCOC(=O)CCSc1nc(Nc2ccc(C3CC3)c3ccccc23)c2ccccc2n1
InChIInChI=1S/C25H23N3O2S/c1-30-23(29)14-15-31-25-27-21-9-5-4-8-20(21)24(28-25)26-22-13-12-17(16-10-11-16)18-6-2-3-7-19(18)22/h2-9,12-13,16H,10-11,14-15H2,1H3,(H,26,27,28)
InChIKeyOFXLZDHGXRDCDY-UHFFFAOYSA-N
MW429.55 g/mol
LogP6.06
Rot. Bonds7

About methyl 3-[4-[(4-cyclopropylnaphthalen-1-yl)amino]quinazolin-2-yl]sulfanylpropanoate

methyl 3-[4-[(4-cyclopropylnaphthalen-1-yl)amino]quinazolin-2-yl]sulfanylpropanoate (PubChem CID 175345383) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is methyl 3-[4-[(4-cyclopropylnaphthalen-1-yl)amino]quinazolin-2-yl]sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(4-cyclopropylnaphthalen-1-yl)amino]quinazolin-2-yl]sulfanylpropanoate
PubChem CID175345383
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Namemethyl 3-[4-[(4-cyclopropylnaphthalen-1-yl)amino]quinazolin-2-yl]sulfanylpropanoate
SMILESCOC(=O)CCSc1nc(Nc2ccc(C3CC3)c3ccccc23)c2ccccc2n1
InChIInChI=1S/C25H23N3O2S/c1-30-23(29)14-15-31-25-27-21-9-5-4-8-20(21)24(28-25)26-22-13-12-17(16-10-11-16)18-6-2-3-7-19(18)22/h2-9,12-13,16H,10-11,14-15H2,1H3,(H,26,27,28)
InChIKeyOFXLZDHGXRDCDY-UHFFFAOYSA-N
XLogP6.06
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[4-[(4-cyclopropylnaphthalen-1-yl)amino]quinazolin-2-yl]sulfanylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-[(4-cyclopropylnaphthalen-1-yl)amino]quinazolin-2-yl]sulfanylacetate
CID 175345322
methyl 4-[4-[(4-cyclopropylnaphthalen-1-yl)amino]-7-fluoroquinazolin-2-yl]sulfanylbutanoate
CID 175345296
methyl 3-[[4-[(4-cyclopropylnaphthalen-1-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]propanoate
CID 175588377
methyl 3-[[4-[(4-cyclopropylnaphthalen-1-yl)amino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]sulfanyl]propanoate
CID 166518506
methyl 2-[4-[(4-cyclopropylnaphthalen-1-yl)amino]thieno[3,2-d]pyrimidin-2-yl]sulfanylacetate
CID 175828203
2-[4-[(4-cyclopropylnaphthalen-1-yl)amino]-6,7-dimethoxyquinazolin-2-yl]sulfanylacetic acid
CID 177381296
(4-cyclopropylnaphthalen-1-yl)carbamic acid
CID 151361563
N-(2-cyanophenyl)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide
CID 24589811
methyl 4-(3-methoxy-3-oxopropyl)sulfanylquinoline-2-carboxylate
CID 15166991
3-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide
CID 38992199
methyl 3-[[6-(methylamino)-2-pyridinyl]sulfanyl]propanoate
CID 80886345
6-(3-methoxy-3-oxopropyl)sulfanylpyridine-2-carboxylic acid
CID 60730616

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(4-cyclopropylnaphthalen-1-yl)amino]quinazolin-2-yl]sulfanylpropanoate?
The IUPAC name of methyl 3-[4-[(4-cyclopropylnaphthalen-1-yl)amino]quinazolin-2-yl]sulfanylpropanoate (CID 175345383) is methyl 3-[4-[(4-cyclopropylnaphthalen-1-yl)amino]quinazolin-2-yl]sulfanylpropanoate.
What is the SMILES notation for methyl 3-[4-[(4-cyclopropylnaphthalen-1-yl)amino]quinazolin-2-yl]sulfanylpropanoate?
The canonical SMILES for methyl 3-[4-[(4-cyclopropylnaphthalen-1-yl)amino]quinazolin-2-yl]sulfanylpropanoate is COC(=O)CCSc1nc(Nc2ccc(C3CC3)c3ccccc23)c2ccccc2n1.
What is the InChIKey of methyl 3-[4-[(4-cyclopropylnaphthalen-1-yl)amino]quinazolin-2-yl]sulfanylpropanoate?
The InChIKey is OFXLZDHGXRDCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-30-23(29)14-15-31-25-27-21-9-5-4-8-20(21)24(28-25)26-22-13-12-17(16-10-11-16)18-6-2-3-7-19(18)22/h2-9,12-13,16H,10-11,14-15H2,1H3,(H,26,27,28).
What are the key properties of methyl 3-[4-[(4-cyclopropylnaphthalen-1-yl)amino]quinazolin-2-yl]sulfanylpropanoate?
methyl 3-[4-[(4-cyclopropylnaphthalen-1-yl)amino]quinazolin-2-yl]sulfanylpropanoate has a molecular weight of 429.55 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(4-cyclopropylnaphthalen-1-yl)amino]quinazolin-2-yl]sulfanylpropanoate is sourced from PubChem (CID 175345383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).