4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C31H31FN6O4 — CID 155235099

IUPAC4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2ccc3nc(N4CCOC(CO)C4)nc(N4CCOCC4c4ccc(F)cc4)c3c2)c2cc[nH]c2c1=O
InChIInChI=1S/C31H31FN6O4/c1-36-16-25(23-8-9-33-28(23)30(36)40)20-4-7-26-24(14-20)29(35-31(34-26)37-10-13-42-22(15-37)17-39)38-11-12-41-18-27(38)19-2-5-21(32)6-3-19/h2-9,14,16,22,27,33,39H,10-13,15,17-18H2,1H3
InChIKeyVWYCMFGAKADDFP-UHFFFAOYSA-N
MW570.63 g/mol
LogP3.39
Rot. Bonds5

About 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 155235099) has the molecular formula C31H31FN6O4 and a molecular weight of 570.63 g/mol. Its IUPAC name is 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID155235099
Molecular FormulaC31H31FN6O4
Molecular Weight570.63 g/mol
Exact Mass570.24
IUPAC Name4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2ccc3nc(N4CCOC(CO)C4)nc(N4CCOCC4c4ccc(F)cc4)c3c2)c2cc[nH]c2c1=O
InChIInChI=1S/C31H31FN6O4/c1-36-16-25(23-8-9-33-28(23)30(36)40)20-4-7-26-24(14-20)29(35-31(34-26)37-10-13-42-22(15-37)17-39)38-11-12-41-18-27(38)19-2-5-21(32)6-3-19/h2-9,14,16,22,27,33,39H,10-13,15,17-18H2,1H3
InChIKeyVWYCMFGAKADDFP-UHFFFAOYSA-N
XLogP3.39
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.63
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 155235099) is 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cc(-c2ccc3nc(N4CCOC(CO)C4)nc(N4CCOCC4c4ccc(F)cc4)c3c2)c2cc[nH]c2c1=O.
What is the InChIKey of 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is VWYCMFGAKADDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31FN6O4/c1-36-16-25(23-8-9-33-28(23)30(36)40)20-4-7-26-24(14-20)29(35-31(34-26)37-10-13-42-22(15-37)17-39)38-11-12-41-18-27(38)19-2-5-21(32)6-3-19/h2-9,14,16,22,27,33,39H,10-13,15,17-18H2,1H3.
What are the key properties of 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 570.63 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 155235099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).