3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C24H24F2N4O5 — CID 90876283

IUPAC3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCOc1cc(CNC(=O)C2CCc3c(c(=O)n(Cc4cc(F)c(O)c(F)c4)c(=O)n3C)C2)ccn1
InChIInChI=1S/C24H24F2N4O5/c1-29-19-4-3-15(22(32)28-11-13-5-6-27-20(9-13)35-2)10-16(19)23(33)30(24(29)34)12-14-7-17(25)21(31)18(26)8-14/h5-9,15,31H,3-4,10-12H2,1-2H3,(H,28,32)
InChIKeyJAYHZIGKCKADQW-UHFFFAOYSA-N
MW486.48 g/mol
LogP1.40
Rot. Bonds6

About 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide

3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 90876283) has the molecular formula C24H24F2N4O5 and a molecular weight of 486.48 g/mol. Its IUPAC name is 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound Name3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID90876283
Molecular FormulaC24H24F2N4O5
Molecular Weight486.48 g/mol
Exact Mass486.17
IUPAC Name3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCOc1cc(CNC(=O)C2CCc3c(c(=O)n(Cc4cc(F)c(O)c(F)c4)c(=O)n3C)C2)ccn1
InChIInChI=1S/C24H24F2N4O5/c1-29-19-4-3-15(22(32)28-11-13-5-6-27-20(9-13)35-2)10-16(19)23(33)30(24(29)34)12-14-7-17(25)21(31)18(26)8-14/h5-9,15,31H,3-4,10-12H2,1-2H3,(H,28,32)
InChIKeyJAYHZIGKCKADQW-UHFFFAOYSA-N
XLogP1.40
TPSA115.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.48
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide with MolForge

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Related Compounds

3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4,7-trioxo-8H-pyrimido[5,4-b][1,4]thiazine-6-carboxamide
CID 91204504
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
(2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate
CID 91415877
(5R)-N-[(2-methoxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662125
6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide
CID 10479234
N-[(2-methoxy-4-pyridinyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739998
3-[(3,4-difluorophenyl)methyl]-4-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2-oxoquinoline-6-carboxamide
CID 91228004
3-[(3,4-difluorophenyl)methyl]-N-[(2-ethoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide
CID 139996904
3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 90998405
3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
CID 10322434
1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 75461152
2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 87003451

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 90876283) is 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide is COc1cc(CNC(=O)C2CCc3c(c(=O)n(Cc4cc(F)c(O)c(F)c4)c(=O)n3C)C2)ccn1.
What is the InChIKey of 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is JAYHZIGKCKADQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O5/c1-29-19-4-3-15(22(32)28-11-13-5-6-27-20(9-13)35-2)10-16(19)23(33)30(24(29)34)12-14-7-17(25)21(31)18(26)8-14/h5-9,15,31H,3-4,10-12H2,1-2H3,(H,28,32).
What are the key properties of 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 486.48 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 90876283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).