N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide

C17H25N5O — CID 110436209

IUPACN-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide
SMILESCCN(CC)CCNC(=O)C(C)Nc1ncnc2ccccc12
InChIInChI=1S/C17H25N5O/c1-4-22(5-2)11-10-18-17(23)13(3)21-16-14-8-6-7-9-15(14)19-12-20-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyWVQILVTZNKVVSV-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.89
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide

N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide (PubChem CID 110436209) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide
PubChem CID110436209
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide
SMILESCCN(CC)CCNC(=O)C(C)Nc1ncnc2ccccc12
InChIInChI=1S/C17H25N5O/c1-4-22(5-2)11-10-18-17(23)13(3)21-16-14-8-6-7-9-15(14)19-12-20-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyWVQILVTZNKVVSV-UHFFFAOYSA-N
XLogP1.89
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide
CID 163215900
N-ethyl-N-methyl-2-(quinazolin-4-ylamino)propanamide
CID 103111298
N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide
CID 110436198
N-(1,3-benzodioxol-5-ylmethyl)-2-(quinazolin-4-ylamino)propanamide
CID 110436193
(2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide
CID 175431191
(2S,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6928136
(2R,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoic acid
CID 725448
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylamino)propanamide
CID 110437297
(2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide
CID 126444405
(2R)-4-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6922206
2-(quinazolin-4-ylamino)pentanoic acid
CID 3356607
N'-ethyl-N'-propan-2-yl-N-quinazolin-4-ylethane-1,2-diamine
CID 133275480

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide (CID 110436209) is N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide is CCN(CC)CCNC(=O)C(C)Nc1ncnc2ccccc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide?
The InChIKey is WVQILVTZNKVVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-4-22(5-2)11-10-18-17(23)13(3)21-16-14-8-6-7-9-15(14)19-12-20-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,18,23)(H,19,20,21).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide?
N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide has a molecular weight of 315.42 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide is sourced from PubChem (CID 110436209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).