3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(4-methoxyquinazolin-2-yl)piperidin-4-yl]methanone

C23H24FN5O3 — CID 146443080

IUPAC3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(4-methoxyquinazolin-2-yl)piperidin-4-yl]methanone
SMILESCOc1nc(N2CCC(F)(C(=O)N3CCOc4ccncc4C3)CC2)nc2ccccc12
InChIInChI=1S/C23H24FN5O3/c1-31-20-17-4-2-3-5-18(17)26-22(27-20)28-10-7-23(24,8-11-28)21(30)29-12-13-32-19-6-9-25-14-16(19)15-29/h2-6,9,14H,7-8,10-13,15H2,1H3
InChIKeyXTVTWCZEMOEUAX-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.76
Rot. Bonds3

About 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(4-methoxyquinazolin-2-yl)piperidin-4-yl]methanone

3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(4-methoxyquinazolin-2-yl)piperidin-4-yl]methanone (PubChem CID 146443080) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(4-methoxyquinazolin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(4-methoxyquinazolin-2-yl)piperidin-4-yl]methanone
PubChem CID146443080
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(4-methoxyquinazolin-2-yl)piperidin-4-yl]methanone
SMILESCOc1nc(N2CCC(F)(C(=O)N3CCOc4ccncc4C3)CC2)nc2ccccc12
InChIInChI=1S/C23H24FN5O3/c1-31-20-17-4-2-3-5-18(17)26-22(27-20)28-10-7-23(24,8-11-28)21(30)29-12-13-32-19-6-9-25-14-16(19)15-29/h2-6,9,14H,7-8,10-13,15H2,1H3
InChIKeyXTVTWCZEMOEUAX-UHFFFAOYSA-N
XLogP2.76
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidin-4-yl]methanone
CID 146443102
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone
CID 142475902
[3,3-difluoro-1-(5-fluoropyrimidin-2-yl)-4-methylpiperidin-4-yl]-(3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone
CID 142475951
4-(4-fluoro-1-quinazolin-2-ylpiperidine-4-carbonyl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile
CID 142475879
2-[4-(3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-4-carbonyl)-3,3-difluoro-4-methylpiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one
CID 146443070
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone
CID 90091575
4-(4-fluoro-1-isoquinolin-3-ylpiperidine-4-carbonyl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile
CID 142476079
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[4-(methylamino)-3-pyridinyl]methanone
CID 81235633
(4-amino-3-pyridinyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 81241112
4-(4-methoxy-1-pyrimidin-2-ylpiperidine-4-carbonyl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile
CID 142475890
4-[4-fluoro-1-(1-methylpyrazolo[4,3-c]pyridin-6-yl)piperidine-4-carbonyl]-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile
CID 142476006
(E)-but-2-enedioic acid;2-(4-methylpiperazin-1-yl)-4-propoxyquinazoline
CID 6449169

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(4-methoxyquinazolin-2-yl)piperidin-4-yl]methanone?
The IUPAC name of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(4-methoxyquinazolin-2-yl)piperidin-4-yl]methanone (CID 146443080) is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(4-methoxyquinazolin-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(4-methoxyquinazolin-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(4-methoxyquinazolin-2-yl)piperidin-4-yl]methanone is COc1nc(N2CCC(F)(C(=O)N3CCOc4ccncc4C3)CC2)nc2ccccc12.
What is the InChIKey of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(4-methoxyquinazolin-2-yl)piperidin-4-yl]methanone?
The InChIKey is XTVTWCZEMOEUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-31-20-17-4-2-3-5-18(17)26-22(27-20)28-10-7-23(24,8-11-28)21(30)29-12-13-32-19-6-9-25-14-16(19)15-29/h2-6,9,14H,7-8,10-13,15H2,1H3.
What are the key properties of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(4-methoxyquinazolin-2-yl)piperidin-4-yl]methanone?
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(4-methoxyquinazolin-2-yl)piperidin-4-yl]methanone has a molecular weight of 437.48 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(4-methoxyquinazolin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 146443080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).