ethyl N-[2-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]acetyl]carbamate

C20H21N5O3 — CID 9113445

IUPACethyl N-[2-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C20H21N5O3/c1-3-25(13-17(26)23-20(27)28-4-2)19-15-9-5-6-10-16(15)22-18(24-19)14-8-7-11-21-12-14/h5-12H,3-4,13H2,1-2H3,(H,23,26,27)
InChIKeyFBXJVVMPYZMPAB-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.79
Rot. Bonds6

About ethyl N-[2-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]acetyl]carbamate

ethyl N-[2-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]acetyl]carbamate (PubChem CID 9113445) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is ethyl N-[2-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]acetyl]carbamate
PubChem CID9113445
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Nameethyl N-[2-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C20H21N5O3/c1-3-25(13-17(26)23-20(27)28-4-2)19-15-9-5-6-10-16(15)22-18(24-19)14-8-7-11-21-12-14/h5-12H,3-4,13H2,1-2H3,(H,23,26,27)
InChIKeyFBXJVVMPYZMPAB-UHFFFAOYSA-N
XLogP2.79
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile
CID 133344856
3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide
CID 137469993
ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 4880874
N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 7765679
potassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 139881691
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963147
ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate
CID 16644397
ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
CID 23762682
ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate
CID 741296
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133288141

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]acetyl]carbamate (CID 9113445) is ethyl N-[2-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)c1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of ethyl N-[2-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]acetyl]carbamate?
The InChIKey is FBXJVVMPYZMPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-3-25(13-17(26)23-20(27)28-4-2)19-15-9-5-6-10-16(15)22-18(24-19)14-8-7-11-21-12-14/h5-12H,3-4,13H2,1-2H3,(H,23,26,27).
What are the key properties of ethyl N-[2-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]acetyl]carbamate?
ethyl N-[2-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]acetyl]carbamate has a molecular weight of 379.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]acetyl]carbamate is sourced from PubChem (CID 9113445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).