3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-[5-(hydroxymethyl)-2-pyridinyl]propanamide

C23H25FN4O4 — CID 24746495

IUPAC3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-[5-(hydroxymethyl)-2-pyridinyl]propanamide
SMILESO=C(Nc1ccc(CO)cn1)C(CC1CCCCC1)n1c(=O)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C23H25FN4O4/c24-16-7-8-18-17(11-16)22(31)28(23(32)26-18)19(10-14-4-2-1-3-5-14)21(30)27-20-9-6-15(13-29)12-25-20/h6-9,11-12,14,19,29H,1-5,10,13H2,(H,26,32)(H,25,27,30)
InChIKeyRVQJDMJEYJWNLO-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.87
Rot. Bonds6

About 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-[5-(hydroxymethyl)-2-pyridinyl]propanamide

3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-[5-(hydroxymethyl)-2-pyridinyl]propanamide (PubChem CID 24746495) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-[5-(hydroxymethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-[5-(hydroxymethyl)-2-pyridinyl]propanamide
PubChem CID24746495
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC Name3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-[5-(hydroxymethyl)-2-pyridinyl]propanamide
SMILESO=C(Nc1ccc(CO)cn1)C(CC1CCCCC1)n1c(=O)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C23H25FN4O4/c24-16-7-8-18-17(11-16)22(31)28(23(32)26-18)19(10-14-4-2-1-3-5-14)21(30)27-20-9-6-15(13-29)12-25-20/h6-9,11-12,14,19,29H,1-5,10,13H2,(H,26,32)(H,25,27,30)
InChIKeyRVQJDMJEYJWNLO-UHFFFAOYSA-N
XLogP2.87
TPSA117.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-[5-(hydroxymethyl)-2-pyridinyl]propanamide?
The IUPAC name of 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-[5-(hydroxymethyl)-2-pyridinyl]propanamide (CID 24746495) is 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-[5-(hydroxymethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-[5-(hydroxymethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-[5-(hydroxymethyl)-2-pyridinyl]propanamide is O=C(Nc1ccc(CO)cn1)C(CC1CCCCC1)n1c(=O)[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-[5-(hydroxymethyl)-2-pyridinyl]propanamide?
The InChIKey is RVQJDMJEYJWNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c24-16-7-8-18-17(11-16)22(31)28(23(32)26-18)19(10-14-4-2-1-3-5-14)21(30)27-20-9-6-15(13-29)12-25-20/h6-9,11-12,14,19,29H,1-5,10,13H2,(H,26,32)(H,25,27,30).
What are the key properties of 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-[5-(hydroxymethyl)-2-pyridinyl]propanamide?
3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-[5-(hydroxymethyl)-2-pyridinyl]propanamide has a molecular weight of 440.48 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-[5-(hydroxymethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 24746495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).