[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

C20H25N5O — CID 109302589

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccnc(N3CCCc4ccccc43)n2)CC1
InChIInChI=1S/C20H25N5O/c1-2-23-12-14-24(15-13-23)19(26)17-9-10-21-20(22-17)25-11-5-7-16-6-3-4-8-18(16)25/h3-4,6,8-10H,2,5,7,11-15H2,1H3
InChIKeyLVHTZAXZJDQTNB-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.34
Rot. Bonds3

About [2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109302589) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109302589
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccnc(N3CCCc4ccccc43)n2)CC1
InChIInChI=1S/C20H25N5O/c1-2-23-12-14-24(15-13-23)19(26)17-9-10-21-20(22-17)25-11-5-7-16-6-3-4-8-18(16)25/h3-4,6,8-10H,2,5,7,11-15H2,1H3
InChIKeyLVHTZAXZJDQTNB-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314281
[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302552
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313707
[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203703
ethyl 4-[4-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109302562
[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204447
2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109312097
[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186328
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109314579
[2-(butan-2-ylamino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109297095
N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311690
N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine
CID 112892929

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (CID 109302589) is [2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccnc(N3CCCc4ccccc43)n2)CC1.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is LVHTZAXZJDQTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-2-23-12-14-24(15-13-23)19(26)17-9-10-21-20(22-17)25-11-5-7-16-6-3-4-8-18(16)25/h3-4,6,8-10H,2,5,7,11-15H2,1H3.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 351.45 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109302589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).