3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one

C25H24N4O3 — CID 74221591

IUPAC3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
SMILESCOc1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)cn(C)c1=O
InChIInChI=1S/C25H24N4O3/c1-15-26-12-20(17-11-23(31-3)25(30)29(2)13-17)24(27-15)32-14-18-10-19(18)22-9-8-16-6-4-5-7-21(16)28-22/h4-9,11-13,18-19H,10,14H2,1-3H3/t18-,19+/m1/s1
InChIKeyDVYVSHVGUMXEEV-MOPGFXCFSA-N
MW428.49 g/mol
LogP3.89
Rot. Bonds6

About 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one

3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one (PubChem CID 74221591) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one.

Molecular Properties

Compound Name3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
PubChem CID74221591
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
SMILESCOc1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)cn(C)c1=O
InChIInChI=1S/C25H24N4O3/c1-15-26-12-20(17-11-23(31-3)25(30)29(2)13-17)24(27-15)32-14-18-10-19(18)22-9-8-16-6-4-5-7-21(16)28-22/h4-9,11-13,18-19H,10,14H2,1-3H3/t18-,19+/m1/s1
InChIKeyDVYVSHVGUMXEEV-MOPGFXCFSA-N
XLogP3.89
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
The IUPAC name of 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one (CID 74221591) is 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one.
What is the SMILES notation for 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
The canonical SMILES for 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one is COc1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)cn(C)c1=O.
What is the InChIKey of 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
The InChIKey is DVYVSHVGUMXEEV-MOPGFXCFSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-15-26-12-20(17-11-23(31-3)25(30)29(2)13-17)24(27-15)32-14-18-10-19(18)22-9-8-16-6-4-5-7-21(16)28-22/h4-9,11-13,18-19H,10,14H2,1-3H3/t18-,19+/m1/s1.
What are the key properties of 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one has a molecular weight of 428.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one is sourced from PubChem (CID 74221591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).