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

C27H30FN5O4 — CID 57461528

IUPAC3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-2-pyridinyl]propanamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cn1)C(CC1CCCCC1)n1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C27H30FN5O4/c28-20-7-8-22-21(15-20)27(36)33(17-30-22)23(14-18-4-2-1-3-5-18)25(34)31-24-9-6-19(16-29-24)26(35)32-10-12-37-13-11-32/h6-9,15-18,23H,1-5,10-14H2,(H,29,31,34)
InChIKeyCHYMXWDBAJPYGE-UHFFFAOYSA-N
MW507.57 g/mol
LogP3.55
Rot. Bonds6

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

3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-2-pyridinyl]propanamide (PubChem CID 57461528) has the molecular formula C27H30FN5O4 and a molecular weight of 507.57 g/mol. Its IUPAC name is 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-2-pyridinyl]propanamide
PubChem CID57461528
Molecular FormulaC27H30FN5O4
Molecular Weight507.57 g/mol
Exact Mass507.23
IUPAC Name3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-2-pyridinyl]propanamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cn1)C(CC1CCCCC1)n1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C27H30FN5O4/c28-20-7-8-22-21(15-20)27(36)33(17-30-22)23(14-18-4-2-1-3-5-18)25(34)31-24-9-6-19(16-29-24)26(35)32-10-12-37-13-11-32/h6-9,15-18,23H,1-5,10-14H2,(H,29,31,34)
InChIKeyCHYMXWDBAJPYGE-UHFFFAOYSA-N
XLogP3.55
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.57
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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)-2-pyridinyl]propanamide?
The IUPAC name of 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-2-pyridinyl]propanamide (CID 57461528) is 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-2-pyridinyl]propanamide?
The canonical SMILES for 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-2-pyridinyl]propanamide is O=C(Nc1ccc(C(=O)N2CCOCC2)cn1)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)-2-pyridinyl]propanamide?
The InChIKey is CHYMXWDBAJPYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O4/c28-20-7-8-22-21(15-20)27(36)33(17-30-22)23(14-18-4-2-1-3-5-18)25(34)31-24-9-6-19(16-29-24)26(35)32-10-12-37-13-11-32/h6-9,15-18,23H,1-5,10-14H2,(H,29,31,34).
What are the key properties of 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-2-pyridinyl]propanamide?
3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-2-pyridinyl]propanamide has a molecular weight of 507.57 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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)-2-pyridinyl]propanamide is sourced from PubChem (CID 57461528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).