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

C25H30FN5O3S — CID 58967479

IUPAC3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(Nc1ncc(CN2CCOCC2)s1)C(CC1CCCCC1)n1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C25H30FN5O3S/c26-18-6-7-21-20(13-18)24(33)31(16-28-21)22(12-17-4-2-1-3-5-17)23(32)29-25-27-14-19(35-25)15-30-8-10-34-11-9-30/h6-7,13-14,16-17,22H,1-5,8-12,15H2,(H,27,29,32)
InChIKeyZCVWXCWEEBPAOT-UHFFFAOYSA-N
MW499.61 g/mol
LogP3.97
Rot. Bonds7

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

3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 58967479) has the molecular formula C25H30FN5O3S and a molecular weight of 499.61 g/mol. Its IUPAC name is 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID58967479
Molecular FormulaC25H30FN5O3S
Molecular Weight499.61 g/mol
Exact Mass499.21
IUPAC Name3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(Nc1ncc(CN2CCOCC2)s1)C(CC1CCCCC1)n1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C25H30FN5O3S/c26-18-6-7-21-20(13-18)24(33)31(16-28-21)22(12-17-4-2-1-3-5-17)23(32)29-25-27-14-19(35-25)15-30-8-10-34-11-9-30/h6-7,13-14,16-17,22H,1-5,8-12,15H2,(H,27,29,32)
InChIKeyZCVWXCWEEBPAOT-UHFFFAOYSA-N
XLogP3.97
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide
CID 57461514
3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-2-pyridinyl]propanamide
CID 57461528
6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide
CID 57461512
(2S)-3-cyclohexyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 24745490
3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-quinolin-2-ylpropanamide
CID 57461552
3-[4-(5-chloro-1,3-thiazol-2-yl)-1-(oxan-4-yl)-3-oxobutan-2-yl]-6-fluoroquinazolin-4-one
CID 123810344
3-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-6-fluoroquinazolin-4-one
CID 123598235
6-fluoro-3-[1-(oxan-4-yl)-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]quinazolin-4-one
CID 123549709
2-(6-acetamido-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 57461506
3-[1-cyclohexyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-6-fluoroquinazolin-4-one
CID 123725788
(2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 71295772
(2R)-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 24957757

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide (CID 58967479) is 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide is O=C(Nc1ncc(CN2CCOCC2)s1)C(CC1CCCCC1)n1cnc2ccc(F)cc2c1=O.
What is the InChIKey of 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is ZCVWXCWEEBPAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O3S/c26-18-6-7-21-20(13-18)24(33)31(16-28-21)22(12-17-4-2-1-3-5-17)23(32)29-25-27-14-19(35-25)15-30-8-10-34-11-9-30/h6-7,13-14,16-17,22H,1-5,8-12,15H2,(H,27,29,32).
What are the key properties of 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?
3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 499.61 g/mol, XLogP of 3.97, 7 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-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 58967479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).