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

C19H27Cl2N5O3 — CID 137147916

IUPACN-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC(CNC(=O)C1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)C1CC1
InChIInChI=1S/C19H25N5O3.2ClH/c20-14(12-5-6-12)9-21-19(26)16-10-24(7-8-27-16)11-17-22-15-4-2-1-3-13(15)18(25)23-17;;/h1-4,12,14,16H,5-11,20H2,(H,21,26)(H,22,23,25);2*1H
InChIKeyZDQTYMXHKQRODR-UHFFFAOYSA-N
MW444.36 g/mol
LogP0.82
Rot. Bonds6

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

N-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 137147916) has the molecular formula C19H27Cl2N5O3 and a molecular weight of 444.36 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID137147916
Molecular FormulaC19H27Cl2N5O3
Molecular Weight444.36 g/mol
Exact Mass443.15
IUPAC NameN-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC(CNC(=O)C1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)C1CC1
InChIInChI=1S/C19H25N5O3.2ClH/c20-14(12-5-6-12)9-21-19(26)16-10-24(7-8-27-16)11-17-22-15-4-2-1-3-13(15)18(25)23-17;;/h1-4,12,14,16H,5-11,20H2,(H,21,26)(H,22,23,25);2*1H
InChIKeyZDQTYMXHKQRODR-UHFFFAOYSA-N
XLogP0.82
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 137077527
4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-piperidin-3-ylmorpholine-2-carboxamide
CID 137140921
N-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 137159327
2-[[(2S)-2-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137097315
4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide
CID 154841493
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-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136968778
2-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137174071
2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137127767
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
(3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide
CID 136853798

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride (CID 137147916) is N-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride is Cl.Cl.NC(CNC(=O)C1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is ZDQTYMXHKQRODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3.2ClH/c20-14(12-5-6-12)9-21-19(26)16-10-24(7-8-27-16)11-17-22-15-4-2-1-3-13(15)18(25)23-17;;/h1-4,12,14,16H,5-11,20H2,(H,21,26)(H,22,23,25);2*1H.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride?
N-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 444.36 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 137147916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).