7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one

C22H27N3O4 — CID 110424937

IUPAC7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CCC(=O)N3CCCC3C(=O)N3CCOCC3)c(=O)[nH]c2c1
InChIInChI=1S/C22H27N3O4/c1-15-4-5-16-14-17(21(27)23-18(16)13-15)6-7-20(26)25-8-2-3-19(25)22(28)24-9-11-29-12-10-24/h4-5,13-14,19H,2-3,6-12H2,1H3,(H,23,27)
InChIKeyHCZARADHNLNUAZ-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.62
Rot. Bonds4

About 7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one

7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one (PubChem CID 110424937) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
PubChem CID110424937
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CCC(=O)N3CCCC3C(=O)N3CCOCC3)c(=O)[nH]c2c1
InChIInChI=1S/C22H27N3O4/c1-15-4-5-16-14-17(21(27)23-18(16)13-15)6-7-20(26)25-8-2-3-19(25)22(28)24-9-11-29-12-10-24/h4-5,13-14,19H,2-3,6-12H2,1H3,(H,23,27)
InChIKeyHCZARADHNLNUAZ-UHFFFAOYSA-N
XLogP1.62
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
CID 53174835
1-(4-methylphenyl)-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110305871
7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 53174829
7-methyl-3-(3-morpholin-4-ylpropyl)-1H-quinolin-2-one
CID 170870829
3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
CID 110629324
3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one
CID 166270647
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53174881
7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56751376
1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 118790095
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 53174855
6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one
CID 110331533

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one?
The IUPAC name of 7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one (CID 110424937) is 7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one is Cc1ccc2cc(CCC(=O)N3CCCC3C(=O)N3CCOCC3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one?
The InChIKey is HCZARADHNLNUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-15-4-5-16-14-17(21(27)23-18(16)13-15)6-7-20(26)25-8-2-3-19(25)22(28)24-9-11-29-12-10-24/h4-5,13-14,19H,2-3,6-12H2,1H3,(H,23,27).
What are the key properties of 7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one?
7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one has a molecular weight of 397.48 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one is sourced from PubChem (CID 110424937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).