methyl 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-2-carboxylate

C19H25ClN4O3 — CID 45191258

IUPACmethyl 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-2-carboxylate
SMILESCOCCNc1nc(CN2CCCCC2C(=O)OC)nc2ccc(Cl)cc12
InChIInChI=1S/C19H25ClN4O3/c1-26-10-8-21-18-14-11-13(20)6-7-15(14)22-17(23-18)12-24-9-4-3-5-16(24)19(25)27-2/h6-7,11,16H,3-5,8-10,12H2,1-2H3,(H,21,22,23)
InChIKeyVYIUPNWHEADZKP-UHFFFAOYSA-N
MW392.89 g/mol
LogP2.87
Rot. Bonds7

About methyl 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-2-carboxylate

methyl 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-2-carboxylate (PubChem CID 45191258) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is methyl 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-2-carboxylate
PubChem CID45191258
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Namemethyl 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-2-carboxylate
SMILESCOCCNc1nc(CN2CCCCC2C(=O)OC)nc2ccc(Cl)cc12
InChIInChI=1S/C19H25ClN4O3/c1-26-10-8-21-18-14-11-13(20)6-7-15(14)22-17(23-18)12-24-9-4-3-5-16(24)19(25)27-2/h6-7,11,16H,3-5,8-10,12H2,1-2H3,(H,21,22,23)
InChIKeyVYIUPNWHEADZKP-UHFFFAOYSA-N
XLogP2.87
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-3-carboxamide
CID 45233587
methyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate
CID 115279213
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-2-carboxylate
CID 43037481
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
methyl 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate
CID 62189751
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate
CID 78992339
methyl (2S)-1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxylate
CID 42286529
methyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate
CID 80657147
methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate
CID 78995219

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-2-carboxylate (CID 45191258) is methyl 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-2-carboxylate is COCCNc1nc(CN2CCCCC2C(=O)OC)nc2ccc(Cl)cc12.
What is the InChIKey of methyl 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-2-carboxylate?
The InChIKey is VYIUPNWHEADZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c1-26-10-8-21-18-14-11-13(20)6-7-15(14)22-17(23-18)12-24-9-4-3-5-16(24)19(25)27-2/h6-7,11,16H,3-5,8-10,12H2,1-2H3,(H,21,22,23).
What are the key properties of methyl 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-2-carboxylate?
methyl 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-2-carboxylate has a molecular weight of 392.89 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-2-carboxylate is sourced from PubChem (CID 45191258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).