3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide

C25H28FN5O4S — CID 57461514

IUPAC3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(Nc1ncc(C(=O)N2CCOCC2)s1)C(CC1CCCCC1)n1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C25H28FN5O4S/c26-17-6-7-19-18(13-17)23(33)31(15-28-19)20(12-16-4-2-1-3-5-16)22(32)29-25-27-14-21(36-25)24(34)30-8-10-35-11-9-30/h6-7,13-16,20H,1-5,8-12H2,(H,27,29,32)
InChIKeyIRNVKUDNQNCUIL-UHFFFAOYSA-N
MW513.60 g/mol
LogP3.61
Rot. Bonds6

About 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide

3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 57461514) has the molecular formula C25H28FN5O4S and a molecular weight of 513.60 g/mol. Its IUPAC name is 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide
PubChem CID57461514
Molecular FormulaC25H28FN5O4S
Molecular Weight513.60 g/mol
Exact Mass513.18
IUPAC Name3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(Nc1ncc(C(=O)N2CCOCC2)s1)C(CC1CCCCC1)n1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C25H28FN5O4S/c26-17-6-7-19-18(13-17)23(33)31(15-28-19)20(12-16-4-2-1-3-5-16)22(32)29-25-27-14-21(36-25)24(34)30-8-10-35-11-9-30/h6-7,13-16,20H,1-5,8-12H2,(H,27,29,32)
InChIKeyIRNVKUDNQNCUIL-UHFFFAOYSA-N
XLogP3.61
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide (CID 57461514) is 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide is O=C(Nc1ncc(C(=O)N2CCOCC2)s1)C(CC1CCCCC1)n1cnc2ccc(F)cc2c1=O.
What is the InChIKey of 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is IRNVKUDNQNCUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O4S/c26-17-6-7-19-18(13-17)23(33)31(15-28-19)20(12-16-4-2-1-3-5-16)22(32)29-25-27-14-21(36-25)24(34)30-8-10-35-11-9-30/h6-7,13-16,20H,1-5,8-12H2,(H,27,29,32).
What are the key properties of 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide?
3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 513.60 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 57461514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).