4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine

C20H23N5O — CID 91961239

IUPAC4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESCc1cc2c(N3CCCc4ccccc43)nc(N3CCOCC3)nc2[nH]1
InChIInChI=1S/C20H23N5O/c1-14-13-16-18(21-14)22-20(24-9-11-26-12-10-24)23-19(16)25-8-4-6-15-5-2-3-7-17(15)25/h2-3,5,7,13H,4,6,8-12H2,1H3,(H,21,22,23)
InChIKeyBMJSQQJTHIXKBB-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.19
Rot. Bonds2

About 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine

4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 91961239) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID91961239
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESCc1cc2c(N3CCCc4ccccc43)nc(N3CCOCC3)nc2[nH]1
InChIInChI=1S/C20H23N5O/c1-14-13-16-18(21-14)22-20(24-9-11-26-12-10-24)23-19(16)25-8-4-6-15-5-2-3-7-17(15)25/h2-3,5,7,13H,4,6,8-12H2,1H3,(H,21,22,23)
InChIKeyBMJSQQJTHIXKBB-UHFFFAOYSA-N
XLogP3.19
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961238
4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine
CID 112912308
6-methyl-2-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961256
4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961246
4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961244
4-(azepan-1-yl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 91961000
6-methyl-2-morpholin-4-yl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961190
N-butan-2-yl-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961262
N-(furan-2-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961095
6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 91960994
N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961094
2-[(6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone
CID 91961106

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine (CID 91961239) is 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine is Cc1cc2c(N3CCCc4ccccc43)nc(N3CCOCC3)nc2[nH]1.
What is the InChIKey of 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is BMJSQQJTHIXKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-13-16-18(21-14)22-20(24-9-11-26-12-10-24)23-19(16)25-8-4-6-15-5-2-3-7-17(15)25/h2-3,5,7,13H,4,6,8-12H2,1H3,(H,21,22,23).
What are the key properties of 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 349.44 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 91961239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).