3-(diethylamino)-N-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]propanamide

C27H29N5O — CID 134132066

IUPAC3-(diethylamino)-N-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]propanamide
SMILESCCN(CC)CCC(=O)Nc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C27H29N5O/c1-3-32(4-2)19-18-25(33)28-21-14-16-22(17-15-21)29-27-23-12-8-9-13-24(23)30-26(31-27)20-10-6-5-7-11-20/h5-17H,3-4,18-19H2,1-2H3,(H,28,33)(H,29,30,31)
InChIKeyWQZVGMBLEGEWIX-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.71
Rot. Bonds9

About 3-(diethylamino)-N-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]propanamide

3-(diethylamino)-N-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]propanamide (PubChem CID 134132066) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is 3-(diethylamino)-N-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(diethylamino)-N-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]propanamide
PubChem CID134132066
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name3-(diethylamino)-N-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]propanamide
SMILESCCN(CC)CCC(=O)Nc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C27H29N5O/c1-3-32(4-2)19-18-25(33)28-21-14-16-22(17-15-21)29-27-23-12-8-9-13-24(23)30-26(31-27)20-10-6-5-7-11-20/h5-17H,3-4,18-19H2,1-2H3,(H,28,33)(H,29,30,31)
InChIKeyWQZVGMBLEGEWIX-UHFFFAOYSA-N
XLogP5.71
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]propanamide?
The IUPAC name of 3-(diethylamino)-N-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]propanamide (CID 134132066) is 3-(diethylamino)-N-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]propanamide.
What is the SMILES notation for 3-(diethylamino)-N-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]propanamide?
The canonical SMILES for 3-(diethylamino)-N-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]propanamide is CCN(CC)CCC(=O)Nc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 3-(diethylamino)-N-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]propanamide?
The InChIKey is WQZVGMBLEGEWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-3-32(4-2)19-18-25(33)28-21-14-16-22(17-15-21)29-27-23-12-8-9-13-24(23)30-26(31-27)20-10-6-5-7-11-20/h5-17H,3-4,18-19H2,1-2H3,(H,28,33)(H,29,30,31).
What are the key properties of 3-(diethylamino)-N-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]propanamide?
3-(diethylamino)-N-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]propanamide has a molecular weight of 439.56 g/mol, XLogP of 5.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]propanamide is sourced from PubChem (CID 134132066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).