1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one

C20H26N4O3 — CID 141169592

IUPAC1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one
SMILESCOc1cc2c(C3CCNCC3)ncnc2cc1OCCN1CCCC1=O
InChIInChI=1S/C20H26N4O3/c1-26-17-11-15-16(22-13-23-20(15)14-4-6-21-7-5-14)12-18(17)27-10-9-24-8-2-3-19(24)25/h11-14,21H,2-10H2,1H3
InChIKeyZDVOVIHGXQEUNH-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.11
Rot. Bonds6

About 1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one

1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one (PubChem CID 141169592) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one
PubChem CID141169592
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one
SMILESCOc1cc2c(C3CCNCC3)ncnc2cc1OCCN1CCCC1=O
InChIInChI=1S/C20H26N4O3/c1-26-17-11-15-16(22-13-23-20(15)14-4-6-21-7-5-14)12-18(17)27-10-9-24-8-2-3-19(24)25/h11-14,21H,2-10H2,1H3
InChIKeyZDVOVIHGXQEUNH-UHFFFAOYSA-N
XLogP2.11
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]pyrrolidin-2-one
CID 18753416
4-cyclohexyl-6,7-dimethoxyquinazoline
CID 67650996
2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid
CID 154672995
1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one
CID 10992646
[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate
CID 162511263
4-(azepan-4-yl)-7-methoxyquinazoline
CID 162748452
6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline
CID 11068254
4-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]morpholine
CID 11111537
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 58770728
7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline
CID 68695903
N-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide
CID 174565011
N-(4-ethoxyphenyl)-4-[6-[3-(2-oxopyrrolidin-1-yl)propoxy]quinazolin-4-yl]piperidine-1-carboxamide
CID 143371002

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one (CID 141169592) is 1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one is COc1cc2c(C3CCNCC3)ncnc2cc1OCCN1CCCC1=O.
What is the InChIKey of 1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one?
The InChIKey is ZDVOVIHGXQEUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-26-17-11-15-16(22-13-23-20(15)14-4-6-21-7-5-14)12-18(17)27-10-9-24-8-2-3-19(24)25/h11-14,21H,2-10H2,1H3.
What are the key properties of 1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one?
1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one has a molecular weight of 370.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 141169592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).