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

C34H43N7O2 — CID 134155587

IUPAC3-(diethylamino)-N-[4-[[2-[2-[3-(diethylamino)propanoylamino]phenyl]quinazolin-4-yl]amino]phenyl]propanamide
SMILESCCN(CC)CCC(=O)Nc1ccc(Nc2nc(-c3ccccc3NC(=O)CCN(CC)CC)nc3ccccc23)cc1
InChIInChI=1S/C34H43N7O2/c1-5-40(6-2)23-21-31(42)35-25-17-19-26(20-18-25)36-33-28-14-10-12-16-30(28)38-34(39-33)27-13-9-11-15-29(27)37-32(43)22-24-41(7-3)8-4/h9-20H,5-8,21-24H2,1-4H3,(H,35,42)(H,37,43)(H,36,38,39)
InChIKeyIYFBEWBCRKPXID-UHFFFAOYSA-N
MW581.77 g/mol
LogP6.38
Rot. Bonds15

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

3-(diethylamino)-N-[4-[[2-[2-[3-(diethylamino)propanoylamino]phenyl]quinazolin-4-yl]amino]phenyl]propanamide (PubChem CID 134155587) has the molecular formula C34H43N7O2 and a molecular weight of 581.77 g/mol. Its IUPAC name is 3-(diethylamino)-N-[4-[[2-[2-[3-(diethylamino)propanoylamino]phenyl]quinazolin-4-yl]amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(diethylamino)-N-[4-[[2-[2-[3-(diethylamino)propanoylamino]phenyl]quinazolin-4-yl]amino]phenyl]propanamide
PubChem CID134155587
Molecular FormulaC34H43N7O2
Molecular Weight581.77 g/mol
Exact Mass581.35
IUPAC Name3-(diethylamino)-N-[4-[[2-[2-[3-(diethylamino)propanoylamino]phenyl]quinazolin-4-yl]amino]phenyl]propanamide
SMILESCCN(CC)CCC(=O)Nc1ccc(Nc2nc(-c3ccccc3NC(=O)CCN(CC)CC)nc3ccccc23)cc1
InChIInChI=1S/C34H43N7O2/c1-5-40(6-2)23-21-31(42)35-25-17-19-26(20-18-25)36-33-28-14-10-12-16-30(28)38-34(39-33)27-13-9-11-15-29(27)37-32(43)22-24-41(7-3)8-4/h9-20H,5-8,21-24H2,1-4H3,(H,35,42)(H,37,43)(H,36,38,39)
InChIKeyIYFBEWBCRKPXID-UHFFFAOYSA-N
XLogP6.38
TPSA102.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.77
LogP ≤ 56.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-[4-[[2-[2-[3-(diethylamino)propanoylamino]phenyl]quinazolin-4-yl]amino]phenyl]propanamide?
The IUPAC name of 3-(diethylamino)-N-[4-[[2-[2-[3-(diethylamino)propanoylamino]phenyl]quinazolin-4-yl]amino]phenyl]propanamide (CID 134155587) is 3-(diethylamino)-N-[4-[[2-[2-[3-(diethylamino)propanoylamino]phenyl]quinazolin-4-yl]amino]phenyl]propanamide.
What is the SMILES notation for 3-(diethylamino)-N-[4-[[2-[2-[3-(diethylamino)propanoylamino]phenyl]quinazolin-4-yl]amino]phenyl]propanamide?
The canonical SMILES for 3-(diethylamino)-N-[4-[[2-[2-[3-(diethylamino)propanoylamino]phenyl]quinazolin-4-yl]amino]phenyl]propanamide is CCN(CC)CCC(=O)Nc1ccc(Nc2nc(-c3ccccc3NC(=O)CCN(CC)CC)nc3ccccc23)cc1.
What is the InChIKey of 3-(diethylamino)-N-[4-[[2-[2-[3-(diethylamino)propanoylamino]phenyl]quinazolin-4-yl]amino]phenyl]propanamide?
The InChIKey is IYFBEWBCRKPXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N7O2/c1-5-40(6-2)23-21-31(42)35-25-17-19-26(20-18-25)36-33-28-14-10-12-16-30(28)38-34(39-33)27-13-9-11-15-29(27)37-32(43)22-24-41(7-3)8-4/h9-20H,5-8,21-24H2,1-4H3,(H,35,42)(H,37,43)(H,36,38,39).
What are the key properties of 3-(diethylamino)-N-[4-[[2-[2-[3-(diethylamino)propanoylamino]phenyl]quinazolin-4-yl]amino]phenyl]propanamide?
3-(diethylamino)-N-[4-[[2-[2-[3-(diethylamino)propanoylamino]phenyl]quinazolin-4-yl]amino]phenyl]propanamide has a molecular weight of 581.77 g/mol, XLogP of 6.38, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-[4-[[2-[2-[3-(diethylamino)propanoylamino]phenyl]quinazolin-4-yl]amino]phenyl]propanamide is sourced from PubChem (CID 134155587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).