[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C19H20N5O3+ — CID 135659961

IUPAC[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESC[NH+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C19H19N5O3/c1-24(11-15-21-14-10-6-5-9-13(14)17(25)22-15)16(18(26)23-19(20)27)12-7-3-2-4-8-12/h2-10,16H,11H2,1H3,(H,21,22,25)(H3,20,23,26,27)/p+1/t16-/m0/s1
InChIKeyJHQAWSUMMCCKGT-INIZCTEOSA-O
MW366.40 g/mol
LogP-0.13
Rot. Bonds5

About [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135659961) has the molecular formula C19H20N5O3+ and a molecular weight of 366.40 g/mol. Its IUPAC name is [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
PubChem CID135659961
Molecular FormulaC19H20N5O3+
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESC[NH+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C19H19N5O3/c1-24(11-15-21-14-10-6-5-9-13(14)17(25)22-15)16(18(26)23-19(20)27)12-7-3-2-4-8-12/h2-10,16H,11H2,1H3,(H,21,22,25)(H3,20,23,26,27)/p+1/t16-/m0/s1
InChIKeyJHQAWSUMMCCKGT-INIZCTEOSA-O
XLogP-0.13
TPSA122.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium with MolForge

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Related Compounds

methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135680104
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8516766
[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135722476
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium
CID 8787108
(4-oxo-3H-quinazolin-2-yl)methyl-[(1S)-1-phenylethyl]azanium
CID 135612861
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789
ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808099
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135794841
[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831638
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide
CID 135566841
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The IUPAC name of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135659961) is [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.
What is the SMILES notation for [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The canonical SMILES for [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is C[NH+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C(=O)NC(N)=O)c1ccccc1.
What is the InChIKey of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The InChIKey is JHQAWSUMMCCKGT-INIZCTEOSA-O. The full InChI is InChI=1S/C19H19N5O3/c1-24(11-15-21-14-10-6-5-9-13(14)17(25)22-15)16(18(26)23-19(20)27)12-7-3-2-4-8-12/h2-10,16H,11H2,1H3,(H,21,22,25)(H3,20,23,26,27)/p+1/t16-/m0/s1.
What are the key properties of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 366.40 g/mol, XLogP of -0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135659961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).