N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride

C20H31Cl2N5O3 — CID 137077527

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)C1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1.Cl.Cl
InChIInChI=1S/C20H29N5O3.2ClH/c1-13(2)20(3,12-21)24-19(27)16-10-25(8-9-28-16)11-17-22-15-7-5-4-6-14(15)18(26)23-17;;/h4-7,13,16H,8-12,21H2,1-3H3,(H,24,27)(H,22,23,26);2*1H
InChIKeyPBFCFUGMXGVXNL-UHFFFAOYSA-N
MW460.41 g/mol
LogP1.46
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 137077527) has the molecular formula C20H31Cl2N5O3 and a molecular weight of 460.41 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID137077527
Molecular FormulaC20H31Cl2N5O3
Molecular Weight460.41 g/mol
Exact Mass459.18
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)C1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1.Cl.Cl
InChIInChI=1S/C20H29N5O3.2ClH/c1-13(2)20(3,12-21)24-19(27)16-10-25(8-9-28-16)11-17-22-15-7-5-4-6-14(15)18(26)23-17;;/h4-7,13,16H,8-12,21H2,1-3H3,(H,24,27)(H,22,23,26);2*1H
InChIKeyPBFCFUGMXGVXNL-UHFFFAOYSA-N
XLogP1.46
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 137147916
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-piperidin-3-ylmorpholine-2-carboxamide
CID 137140921
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-[[(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
2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 154837326
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide
CID 139005887
2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136968778
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride (CID 137077527) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride is CC(C)C(C)(CN)NC(=O)C1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is PBFCFUGMXGVXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3.2ClH/c1-13(2)20(3,12-21)24-19(27)16-10-25(8-9-28-16)11-17-22-15-7-5-4-6-14(15)18(26)23-17;;/h4-7,13,16H,8-12,21H2,1-3H3,(H,24,27)(H,22,23,26);2*1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 460.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 137077527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).