3-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]-N-(2-morpholin-4-ylethyl)propanamide

C19H25Cl2N5O2 — CID 83282817

IUPAC3-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCc1nc(NCCC(=O)NCCN2CCOCC2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C19H25Cl2N5O2/c1-2-16-24-18-14(11-13(20)12-15(18)21)19(25-16)23-4-3-17(27)22-5-6-26-7-9-28-10-8-26/h11-12H,2-10H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyTVHBEZDWNVTNFD-UHFFFAOYSA-N
MW426.35 g/mol
LogP2.75
Rot. Bonds8

About 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]-N-(2-morpholin-4-ylethyl)propanamide

3-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 83282817) has the molecular formula C19H25Cl2N5O2 and a molecular weight of 426.35 g/mol. Its IUPAC name is 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID83282817
Molecular FormulaC19H25Cl2N5O2
Molecular Weight426.35 g/mol
Exact Mass425.14
IUPAC Name3-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCc1nc(NCCC(=O)NCCN2CCOCC2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C19H25Cl2N5O2/c1-2-16-24-18-14(11-13(20)12-15(18)21)19(25-16)23-4-3-17(27)22-5-6-26-7-9-28-10-8-26/h11-12H,2-10H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyTVHBEZDWNVTNFD-UHFFFAOYSA-N
XLogP2.75
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 83282756
3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016616
N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944127
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016591
6-ethyl-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56883329
6-chloro-2-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 80935880
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide
CID 109016643
4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 4156120
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016608
3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016626

Frequently Asked Questions

What is the IUPAC name of 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]-N-(2-morpholin-4-ylethyl)propanamide (CID 83282817) is 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]-N-(2-morpholin-4-ylethyl)propanamide is CCc1nc(NCCC(=O)NCCN2CCOCC2)c2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is TVHBEZDWNVTNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N5O2/c1-2-16-24-18-14(11-13(20)12-15(18)21)19(25-16)23-4-3-17(27)22-5-6-26-7-9-28-10-8-26/h11-12H,2-10H2,1H3,(H,22,27)(H,23,24,25).
What are the key properties of 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]-N-(2-morpholin-4-ylethyl)propanamide?
3-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 426.35 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 83282817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).