3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide

C23H34ClN5O2 — CID 42809605

IUPAC3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide
SMILESCCc1nc(N(CCCN2CCOCC2)CCC(=O)NC(C)C)c2ccc(Cl)cc2n1
InChIInChI=1S/C23H34ClN5O2/c1-4-21-26-20-16-18(24)6-7-19(20)23(27-21)29(11-8-22(30)25-17(2)3)10-5-9-28-12-14-31-15-13-28/h6-7,16-17H,4-5,8-15H2,1-3H3,(H,25,30)
InChIKeyHMFQZFNAEHWCOE-UHFFFAOYSA-N
MW448.01 g/mol
LogP3.29
Rot. Bonds10

About 3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide

3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide (PubChem CID 42809605) has the molecular formula C23H34ClN5O2 and a molecular weight of 448.01 g/mol. Its IUPAC name is 3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide
PubChem CID42809605
Molecular FormulaC23H34ClN5O2
Molecular Weight448.01 g/mol
Exact Mass447.24
IUPAC Name3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide
SMILESCCc1nc(N(CCCN2CCOCC2)CCC(=O)NC(C)C)c2ccc(Cl)cc2n1
InChIInChI=1S/C23H34ClN5O2/c1-4-21-26-20-16-18(24)6-7-19(20)23(27-21)29(11-8-22(30)25-17(2)3)10-5-9-28-12-14-31-15-13-28/h6-7,16-17H,4-5,8-15H2,1-3H3,(H,25,30)
InChIKeyHMFQZFNAEHWCOE-UHFFFAOYSA-N
XLogP3.29
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.01
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide (CID 42809605) is 3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide is CCc1nc(N(CCCN2CCOCC2)CCC(=O)NC(C)C)c2ccc(Cl)cc2n1.
What is the InChIKey of 3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is HMFQZFNAEHWCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClN5O2/c1-4-21-26-20-16-18(24)6-7-19(20)23(27-21)29(11-8-22(30)25-17(2)3)10-5-9-28-12-14-31-15-13-28/h6-7,16-17H,4-5,8-15H2,1-3H3,(H,25,30).
What are the key properties of 3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide?
3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 448.01 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 42809605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).