2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol

C22H29N5O — CID 91964106

IUPAC2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(Nc2ccc(N(CC)CC)cc2)nc2ccccc12
InChIInChI=1S/C22H29N5O/c1-4-16(15-28)23-21-19-9-7-8-10-20(19)25-22(26-21)24-17-11-13-18(14-12-17)27(5-2)6-3/h7-14,16,28H,4-6,15H2,1-3H3,(H2,23,24,25,26)
InChIKeyRQQNQVLKXSTHKI-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.40
Rot. Bonds9

About 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol

2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol (PubChem CID 91964106) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol
PubChem CID91964106
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(Nc2ccc(N(CC)CC)cc2)nc2ccccc12
InChIInChI=1S/C22H29N5O/c1-4-16(15-28)23-21-19-9-7-8-10-20(19)25-22(26-21)24-17-11-13-18(14-12-17)27(5-2)6-3/h7-14,16,28H,4-6,15H2,1-3H3,(H2,23,24,25,26)
InChIKeyRQQNQVLKXSTHKI-UHFFFAOYSA-N
XLogP4.40
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid
CID 91963933
2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol
CID 91964124
2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966042
2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966058
3-methoxy-2-[[2-(propylamino)quinazolin-4-yl]amino]propan-1-ol
CID 106198698
2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid
CID 91964013
2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine
CID 80836524
2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91963816
1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone
CID 56729195
N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide
CID 50944617
2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine
CID 12703241
2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol
CID 19988726

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol?
The IUPAC name of 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol (CID 91964106) is 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol is CCC(CO)Nc1nc(Nc2ccc(N(CC)CC)cc2)nc2ccccc12.
What is the InChIKey of 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol?
The InChIKey is RQQNQVLKXSTHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-4-16(15-28)23-21-19-9-7-8-10-20(19)25-22(26-21)24-17-11-13-18(14-12-17)27(5-2)6-3/h7-14,16,28H,4-6,15H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol?
2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol has a molecular weight of 379.51 g/mol, XLogP of 4.40, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 91964106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).