N-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride

C20H29Cl2N5O3 — CID 137159327

IUPACN-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
SMILESCC1NCCCC1NC(=O)C1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1.Cl.Cl
InChIInChI=1S/C20H27N5O3.2ClH/c1-13-15(7-4-8-21-13)23-20(27)17-11-25(9-10-28-17)12-18-22-16-6-3-2-5-14(16)19(26)24-18;;/h2-3,5-6,13,15,17,21H,4,7-12H2,1H3,(H,23,27)(H,22,24,26);2*1H
InChIKeyRZPSNQGJLBRCIO-UHFFFAOYSA-N
MW458.39 g/mol
LogP1.22
Rot. Bonds4

About N-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride

N-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 137159327) has the molecular formula C20H29Cl2N5O3 and a molecular weight of 458.39 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID137159327
Molecular FormulaC20H29Cl2N5O3
Molecular Weight458.39 g/mol
Exact Mass457.16
IUPAC NameN-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
SMILESCC1NCCCC1NC(=O)C1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1.Cl.Cl
InChIInChI=1S/C20H27N5O3.2ClH/c1-13-15(7-4-8-21-13)23-20(27)17-11-25(9-10-28-17)12-18-22-16-6-3-2-5-14(16)19(26)24-18;;/h2-3,5-6,13,15,17,21H,4,7-12H2,1H3,(H,23,27)(H,22,24,26);2*1H
InChIKeyRZPSNQGJLBRCIO-UHFFFAOYSA-N
XLogP1.22
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-piperidin-3-ylmorpholine-2-carboxamide
CID 137140921
N-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 137147916
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 137077527
2-[[2-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137229611
2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137127767
2-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137174071
4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide
CID 154841493
2-[[(2S)-2-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137097315
N-(2-methylcyclohexyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide
CID 137278385
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide
CID 139005887
2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 154837326
4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide
CID 58504652

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride (CID 137159327) is N-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride is CC1NCCCC1NC(=O)C1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1.Cl.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is RZPSNQGJLBRCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3.2ClH/c1-13-15(7-4-8-21-13)23-20(27)17-11-25(9-10-28-17)12-18-22-16-6-3-2-5-14(16)19(26)24-18;;/h2-3,5-6,13,15,17,21H,4,7-12H2,1H3,(H,23,27)(H,22,24,26);2*1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride?
N-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 458.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 137159327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).