N-[4-[3-[[2-(dipropylamino)acetyl]amino]anilino]quinazolin-6-yl]propanamide

C25H32N6O2 — CID 141404276

IUPACN-[4-[3-[[2-(dipropylamino)acetyl]amino]anilino]quinazolin-6-yl]propanamide
SMILESCCCN(CCC)CC(=O)Nc1cccc(Nc2ncnc3ccc(NC(=O)CC)cc23)c1
InChIInChI=1S/C25H32N6O2/c1-4-12-31(13-5-2)16-24(33)29-18-8-7-9-19(14-18)30-25-21-15-20(28-23(32)6-3)10-11-22(21)26-17-27-25/h7-11,14-15,17H,4-6,12-13,16H2,1-3H3,(H,28,32)(H,29,33)(H,26,27,30)
InChIKeyDUBCMVFIQCMLJS-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.78
Rot. Bonds11

About N-[4-[3-[[2-(dipropylamino)acetyl]amino]anilino]quinazolin-6-yl]propanamide

N-[4-[3-[[2-(dipropylamino)acetyl]amino]anilino]quinazolin-6-yl]propanamide (PubChem CID 141404276) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[4-[3-[[2-(dipropylamino)acetyl]amino]anilino]quinazolin-6-yl]propanamide.

Molecular Properties

Compound NameN-[4-[3-[[2-(dipropylamino)acetyl]amino]anilino]quinazolin-6-yl]propanamide
PubChem CID141404276
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC NameN-[4-[3-[[2-(dipropylamino)acetyl]amino]anilino]quinazolin-6-yl]propanamide
SMILESCCCN(CCC)CC(=O)Nc1cccc(Nc2ncnc3ccc(NC(=O)CC)cc23)c1
InChIInChI=1S/C25H32N6O2/c1-4-12-31(13-5-2)16-24(33)29-18-8-7-9-19(14-18)30-25-21-15-20(28-23(32)6-3)10-11-22(21)26-17-27-25/h7-11,14-15,17H,4-6,12-13,16H2,1-3H3,(H,28,32)(H,29,33)(H,26,27,30)
InChIKeyDUBCMVFIQCMLJS-UHFFFAOYSA-N
XLogP4.78
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide
CID 141333726
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(dimethylamino)butanamide
CID 44629538
1-butyl-1-ethyl-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea
CID 46176084
(E)-4-(dimethylamino)-N-[4-(3-methylanilino)quinazolin-6-yl]but-2-enamide
CID 71215453
1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
CID 21002622
N-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide
CID 19365861
N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide
CID 174705931
N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 46831435
CID 88567720
CID 88567720
N-[4-(3-bromoanilino)quinazolin-6-yl]-7-isothiocyanatoheptanamide
CID 127045031
(E)-N-(4-anilinoquinazolin-6-yl)-4-(dimethylamino)but-2-enamide
CID 69317465
N-[4-(3-ethynylanilino)quinazolin-6-yl]-2-(4-heptan-4-ylpiperazin-1-yl)acetamide
CID 44599638

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[[2-(dipropylamino)acetyl]amino]anilino]quinazolin-6-yl]propanamide?
The IUPAC name of N-[4-[3-[[2-(dipropylamino)acetyl]amino]anilino]quinazolin-6-yl]propanamide (CID 141404276) is N-[4-[3-[[2-(dipropylamino)acetyl]amino]anilino]quinazolin-6-yl]propanamide.
What is the SMILES notation for N-[4-[3-[[2-(dipropylamino)acetyl]amino]anilino]quinazolin-6-yl]propanamide?
The canonical SMILES for N-[4-[3-[[2-(dipropylamino)acetyl]amino]anilino]quinazolin-6-yl]propanamide is CCCN(CCC)CC(=O)Nc1cccc(Nc2ncnc3ccc(NC(=O)CC)cc23)c1.
What is the InChIKey of N-[4-[3-[[2-(dipropylamino)acetyl]amino]anilino]quinazolin-6-yl]propanamide?
The InChIKey is DUBCMVFIQCMLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-4-12-31(13-5-2)16-24(33)29-18-8-7-9-19(14-18)30-25-21-15-20(28-23(32)6-3)10-11-22(21)26-17-27-25/h7-11,14-15,17H,4-6,12-13,16H2,1-3H3,(H,28,32)(H,29,33)(H,26,27,30).
What are the key properties of N-[4-[3-[[2-(dipropylamino)acetyl]amino]anilino]quinazolin-6-yl]propanamide?
N-[4-[3-[[2-(dipropylamino)acetyl]amino]anilino]quinazolin-6-yl]propanamide has a molecular weight of 448.57 g/mol, XLogP of 4.78, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[[2-(dipropylamino)acetyl]amino]anilino]quinazolin-6-yl]propanamide is sourced from PubChem (CID 141404276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).