(3Z)-2-N-(2-naphthalen-1-ylquinazolin-4-yl)-4-N,4-N-dipropylpenta-1,3-diene-2,4-diamine

C29H32N4 — CID 142126644

IUPAC(3Z)-2-N-(2-naphthalen-1-ylquinazolin-4-yl)-4-N,4-N-dipropylpenta-1,3-diene-2,4-diamine
SMILESC=C(/C=C(/C)N(CCC)CCC)Nc1nc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C29H32N4/c1-5-18-33(19-6-2)22(4)20-21(3)30-29-26-15-9-10-17-27(26)31-28(32-29)25-16-11-13-23-12-7-8-14-24(23)25/h7-17,20H,3,5-6,18-19H2,1-2,4H3,(H,30,31,32)/b22-20-
InChIKeyRYKBGFOJZTYLTN-XDOYNYLZSA-N
MW436.60 g/mol
LogP7.40
Rot. Bonds9

About (3Z)-2-N-(2-naphthalen-1-ylquinazolin-4-yl)-4-N,4-N-dipropylpenta-1,3-diene-2,4-diamine

(3Z)-2-N-(2-naphthalen-1-ylquinazolin-4-yl)-4-N,4-N-dipropylpenta-1,3-diene-2,4-diamine (PubChem CID 142126644) has the molecular formula C29H32N4 and a molecular weight of 436.60 g/mol. Its IUPAC name is (3Z)-2-N-(2-naphthalen-1-ylquinazolin-4-yl)-4-N,4-N-dipropylpenta-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name(3Z)-2-N-(2-naphthalen-1-ylquinazolin-4-yl)-4-N,4-N-dipropylpenta-1,3-diene-2,4-diamine
PubChem CID142126644
Molecular FormulaC29H32N4
Molecular Weight436.60 g/mol
Exact Mass436.26
IUPAC Name(3Z)-2-N-(2-naphthalen-1-ylquinazolin-4-yl)-4-N,4-N-dipropylpenta-1,3-diene-2,4-diamine
SMILESC=C(/C=C(/C)N(CCC)CCC)Nc1nc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C29H32N4/c1-5-18-33(19-6-2)22(4)20-21(3)30-29-26-15-9-10-17-27(26)31-28(32-29)25-16-11-13-23-12-7-8-14-24(23)25/h7-17,20H,3,5-6,18-19H2,1-2,4H3,(H,30,31,32)/b22-20-
InChIKeyRYKBGFOJZTYLTN-XDOYNYLZSA-N
XLogP7.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
Revaprazan
CID 204104
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
NSC 23766 trihydrochloride
CID 16759159
Importazole
CID 2949965
N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
CID 409805
Quinazoline, 2,4-diamino-5-methyl-(7CI,8CI)
CID 198062
Senexin A
CID 56927063
2,4,7,9-Tetramethylbenzo[b][1,8]naphthyridin-5-amine
CID 765471

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-N-(2-naphthalen-1-ylquinazolin-4-yl)-4-N,4-N-dipropylpenta-1,3-diene-2,4-diamine?
The IUPAC name of (3Z)-2-N-(2-naphthalen-1-ylquinazolin-4-yl)-4-N,4-N-dipropylpenta-1,3-diene-2,4-diamine (CID 142126644) is (3Z)-2-N-(2-naphthalen-1-ylquinazolin-4-yl)-4-N,4-N-dipropylpenta-1,3-diene-2,4-diamine.
What is the SMILES notation for (3Z)-2-N-(2-naphthalen-1-ylquinazolin-4-yl)-4-N,4-N-dipropylpenta-1,3-diene-2,4-diamine?
The canonical SMILES for (3Z)-2-N-(2-naphthalen-1-ylquinazolin-4-yl)-4-N,4-N-dipropylpenta-1,3-diene-2,4-diamine is C=C(/C=C(/C)N(CCC)CCC)Nc1nc(-c2cccc3ccccc23)nc2ccccc12.
What is the InChIKey of (3Z)-2-N-(2-naphthalen-1-ylquinazolin-4-yl)-4-N,4-N-dipropylpenta-1,3-diene-2,4-diamine?
The InChIKey is RYKBGFOJZTYLTN-XDOYNYLZSA-N. The full InChI is InChI=1S/C29H32N4/c1-5-18-33(19-6-2)22(4)20-21(3)30-29-26-15-9-10-17-27(26)31-28(32-29)25-16-11-13-23-12-7-8-14-24(23)25/h7-17,20H,3,5-6,18-19H2,1-2,4H3,(H,30,31,32)/b22-20-.
What are the key properties of (3Z)-2-N-(2-naphthalen-1-ylquinazolin-4-yl)-4-N,4-N-dipropylpenta-1,3-diene-2,4-diamine?
(3Z)-2-N-(2-naphthalen-1-ylquinazolin-4-yl)-4-N,4-N-dipropylpenta-1,3-diene-2,4-diamine has a molecular weight of 436.60 g/mol, XLogP of 7.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-N-(2-naphthalen-1-ylquinazolin-4-yl)-4-N,4-N-dipropylpenta-1,3-diene-2,4-diamine is sourced from PubChem (CID 142126644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).