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

C27H33Cl2N5O2 — CID 83282756

IUPAC3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCc1nc(N(CCC(=O)NCCN2CCOCC2)CCc2ccccc2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C27H33Cl2N5O2/c1-2-24-31-26-22(18-21(28)19-23(26)29)27(32-24)34(11-8-20-6-4-3-5-7-20)12-9-25(35)30-10-13-33-14-16-36-17-15-33/h3-7,18-19H,2,8-17H2,1H3,(H,30,35)
InChIKeyGIMOSWGRSYCXSU-UHFFFAOYSA-N
MW530.50 g/mol
LogP4.39
Rot. Bonds11

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

3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 83282756) has the molecular formula C27H33Cl2N5O2 and a molecular weight of 530.50 g/mol. Its IUPAC name is 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID83282756
Molecular FormulaC27H33Cl2N5O2
Molecular Weight530.50 g/mol
Exact Mass529.20
IUPAC Name3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCc1nc(N(CCC(=O)NCCN2CCOCC2)CCc2ccccc2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C27H33Cl2N5O2/c1-2-24-31-26-22(18-21(28)19-23(26)29)27(32-24)34(11-8-20-6-4-3-5-7-20)12-9-25(35)30-10-13-33-14-16-36-17-15-33/h3-7,18-19H,2,8-17H2,1H3,(H,30,35)
InChIKeyGIMOSWGRSYCXSU-UHFFFAOYSA-N
XLogP4.39
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 83282817
3-[acetyl(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 113120745
3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide
CID 42809605
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016754
3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113127193
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 113119422
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide
CID 83280150
5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 42783038
4-butyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(1-phenylethyl)benzamide
CID 42703225
2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994936

Frequently Asked Questions

What is the IUPAC name of 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide (CID 83282756) is 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide is CCc1nc(N(CCC(=O)NCCN2CCOCC2)CCc2ccccc2)c2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is GIMOSWGRSYCXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33Cl2N5O2/c1-2-24-31-26-22(18-21(28)19-23(26)29)27(32-24)34(11-8-20-6-4-3-5-7-20)12-9-25(35)30-10-13-33-14-16-36-17-15-33/h3-7,18-19H,2,8-17H2,1H3,(H,30,35).
What are the key properties of 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide?
3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 530.50 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 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)-(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 83282756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).