2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine

C22H25N5 — CID 146598297

IUPAC2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
SMILESCCC(C)Nc1nc(NCCc2c[nH]c3ccccc23)c2ccccc2n1
InChIInChI=1S/C22H25N5/c1-3-15(2)25-22-26-20-11-7-5-9-18(20)21(27-22)23-13-12-16-14-24-19-10-6-4-8-17(16)19/h4-11,14-15,24H,3,12-13H2,1-2H3,(H2,23,25,26,27)
InChIKeySEPDPFCAQZACLZ-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.98
Rot. Bonds7

About 2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine

2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine (PubChem CID 146598297) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
PubChem CID146598297
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
SMILESCCC(C)Nc1nc(NCCc2c[nH]c3ccccc23)c2ccccc2n1
InChIInChI=1S/C22H25N5/c1-3-15(2)25-22-26-20-11-7-5-9-18(20)21(27-22)23-13-12-16-14-24-19-10-6-4-8-17(16)19/h4-11,14-15,24H,3,12-13H2,1-2H3,(H2,23,25,26,27)
InChIKeySEPDPFCAQZACLZ-UHFFFAOYSA-N
XLogP4.98
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794
N-butan-2-yl-2-hydrazinylquinazolin-4-amine
CID 80932741
2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 99644863
N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 30033461
2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932688
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 155536111
2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine
CID 19939147
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine
CID 82460644
5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 171572985
(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
CID 92864086
1-butan-2-yl-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110944386
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine (CID 146598297) is 2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine is CCC(C)Nc1nc(NCCc2c[nH]c3ccccc23)c2ccccc2n1.
What is the InChIKey of 2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine?
The InChIKey is SEPDPFCAQZACLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-3-15(2)25-22-26-20-11-7-5-9-18(20)21(27-22)23-13-12-16-14-24-19-10-6-4-8-17(16)19/h4-11,14-15,24H,3,12-13H2,1-2H3,(H2,23,25,26,27).
What are the key properties of 2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine?
2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine has a molecular weight of 359.48 g/mol, XLogP of 4.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine is sourced from PubChem (CID 146598297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).