N',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine

C14H19IN4 — CID 23734239

IUPACN',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1ncnc2ccc(I)cc12
InChIInChI=1S/C14H19IN4/c1-3-19(4-2)8-7-16-14-12-9-11(15)5-6-13(12)17-10-18-14/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17,18)
InChIKeyIDZFTZJAHKCWQC-UHFFFAOYSA-N
MW370.24 g/mol
LogP2.99
Rot. Bonds6

About N',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine

N',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine (PubChem CID 23734239) has the molecular formula C14H19IN4 and a molecular weight of 370.24 g/mol. Its IUPAC name is N',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine
PubChem CID23734239
Molecular FormulaC14H19IN4
Molecular Weight370.24 g/mol
Exact Mass370.07
IUPAC NameN',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1ncnc2ccc(I)cc12
InChIInChI=1S/C14H19IN4/c1-3-19(4-2)8-7-16-14-12-9-11(15)5-6-13(12)17-10-18-14/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17,18)
InChIKeyIDZFTZJAHKCWQC-UHFFFAOYSA-N
XLogP2.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(6,7-dimethoxyquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 21002974
N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 110430242
N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 43236110
N-(3-imidazol-1-yl-2-methylpropyl)-6-iodoquinazolin-4-amine
CID 133318616
4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide
CID 66942500
N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine
CID 21003124
N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 63734759
4-N-[2-(diethylamino)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80770786
(2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide
CID 163215900
6-iodo-N-naphthalen-1-ylquinazolin-4-amine
CID 23797713
(2R)-2-[(6-iodoquinazolin-4-yl)amino]-3-methylbutanoic acid
CID 122050838
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',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine (CID 23734239) is N',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine is CCN(CC)CCNc1ncnc2ccc(I)cc12.
What is the InChIKey of N',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine?
The InChIKey is IDZFTZJAHKCWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN4/c1-3-19(4-2)8-7-16-14-12-9-11(15)5-6-13(12)17-10-18-14/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of N',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine has a molecular weight of 370.24 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 23734239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).